(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol

C17H21ClN2O — CID 10902809

IUPAC(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol
SMILESC[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-13(11-20-16-8-3-2-4-9-16)19-12-17(21)14-6-5-7-15(18)10-14/h2-10,13,17,19-21H,11-12H2,1H3/t13-,17+/m1/s1
InChIKeyIUDHYTDAODRVLB-DYVFJYSZSA-N
MW304.82 g/mol
LogP3.46
Rot. Bonds7

About (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol

(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol (PubChem CID 10902809) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol
PubChem CID10902809
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol
SMILESC[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C17H21ClN2O/c1-13(11-20-16-8-3-2-4-9-16)19-12-17(21)14-6-5-7-15(18)10-14/h2-10,13,17,19-21H,11-12H2,1H3/t13-,17+/m1/s1
InChIKeyIUDHYTDAODRVLB-DYVFJYSZSA-N
XLogP3.46
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol?
The IUPAC name of (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol (CID 10902809) is (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol?
The canonical SMILES for (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol is C[C@H](CNc1ccccc1)NC[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol?
The InChIKey is IUDHYTDAODRVLB-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-13(11-20-16-8-3-2-4-9-16)19-12-17(21)14-6-5-7-15(18)10-14/h2-10,13,17,19-21H,11-12H2,1H3/t13-,17+/m1/s1.
What are the key properties of (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol?
(1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol has a molecular weight of 304.82 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[(2R)-1-anilinopropan-2-yl]amino]-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 10902809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).