(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol

C20H24ClNO3 — CID 24753846

IUPAC(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol
SMILESC[C@H](Cc1ccc2c(c1)OC[C@H](C)O2)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-13(22-11-18(23)16-4-3-5-17(21)10-16)8-15-6-7-19-20(9-15)24-12-14(2)25-19/h3-7,9-10,13-14,18,22-23H,8,11-12H2,1-2H3/t13-,14+,18+/m1/s1
InChIKeyIMEMHQORQYCNTR-GLJUWKHASA-N
MW361.87 g/mol
LogP3.75
Rot. Bonds6

About (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol

(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol (PubChem CID 24753846) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol
PubChem CID24753846
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol
SMILESC[C@H](Cc1ccc2c(c1)OC[C@H](C)O2)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C20H24ClNO3/c1-13(22-11-18(23)16-4-3-5-17(21)10-16)8-15-6-7-19-20(9-15)24-12-14(2)25-19/h3-7,9-10,13-14,18,22-23H,8,11-12H2,1-2H3/t13-,14+,18+/m1/s1
InChIKeyIMEMHQORQYCNTR-GLJUWKHASA-N
XLogP3.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol with MolForge

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Related Compounds

(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
CID 4281354
1-(3-chlorophenyl)-2-[1-[4-[(4-chlorophenyl)methyl]phenyl]propan-2-ylamino]ethanol
CID 14368686
(1R)-1-(3-chlorophenyl)-2-[1-(3,4-dimethoxyphenyl)propan-2-ylamino]ethanol
CID 70004370
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
1-(3-chlorophenyl)-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethanol
CID 18628071
methyl 6-[2-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]propyl]-2,3-dihydro-1,4-benzodioxine-2-carboxylate
CID 15480497
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
(1R)-1-(3-chlorophenyl)-2-[[(2S)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol
CID 44522746
dibenzyl 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate
CID 54439365
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-(3-fluoro-4-methoxyphenyl)propan-2-yl]amino]ethanol;hydrobromide
CID 44522760

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol?
The IUPAC name of (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol (CID 24753846) is (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol is C[C@H](Cc1ccc2c(c1)OC[C@H](C)O2)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol?
The InChIKey is IMEMHQORQYCNTR-GLJUWKHASA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-13(22-11-18(23)16-4-3-5-17(21)10-16)8-15-6-7-19-20(9-15)24-12-14(2)25-19/h3-7,9-10,13-14,18,22-23H,8,11-12H2,1-2H3/t13-,14+,18+/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol?
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol has a molecular weight of 361.87 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[(2S)-2-methyl-2,3-dihydro-1,4-benzodioxin-6-yl]propan-2-yl]amino]ethanol is sourced from PubChem (CID 24753846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).