(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol

C18H21Cl2NO2 — CID 51996369

IUPAC(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C18H21Cl2NO2/c1-2-17(11-22)21-10-14-9-16(20)6-7-18(14)23-12-13-4-3-5-15(19)8-13/h3-9,17,21-22H,2,10-12H2,1H3/t17-/m1/s1
InChIKeyJEYXXJHYMUHTRD-QGZVFWFLSA-N
MW354.28 g/mol
LogP4.43
Rot. Bonds8

About (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol

(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol (PubChem CID 51996369) has the molecular formula C18H21Cl2NO2 and a molecular weight of 354.28 g/mol. Its IUPAC name is (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
PubChem CID51996369
Molecular FormulaC18H21Cl2NO2
Molecular Weight354.28 g/mol
Exact Mass353.09
IUPAC Name(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1cc(Cl)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C18H21Cl2NO2/c1-2-17(11-22)21-10-14-9-16(20)6-7-18(14)23-12-13-4-3-5-15(19)8-13/h3-9,17,21-22H,2,10-12H2,1H3/t17-/m1/s1
InChIKeyJEYXXJHYMUHTRD-QGZVFWFLSA-N
XLogP4.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol with MolForge

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Related Compounds

2-[(3-chlorophenyl)methylamino]butan-1-ol
CID 4711843
(2R)-2-[[5-bromo-2-[(2,6-dichlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 51993805
2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 66528684
(2R)-2-[(5-chloro-2-fluorophenyl)methylamino]butan-1-ol
CID 96910013
(2R)-2-[(2,5-dichlorophenyl)methylamino]butan-1-ol
CID 96919096
2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol;hydrochloride
CID 17290202
(2S)-2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]butan-1-ol
CID 40726401
(2S)-2-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40726356
(2S)-2-[[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 40726440
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine
CID 4716552
2-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylamino]butan-1-ol;hydrochloride
CID 17290191

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol (CID 51996369) is (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol is CC[C@H](CO)NCc1cc(Cl)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
The InChIKey is JEYXXJHYMUHTRD-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21Cl2NO2/c1-2-17(11-22)21-10-14-9-16(20)6-7-18(14)23-12-13-4-3-5-15(19)8-13/h3-9,17,21-22H,2,10-12H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol?
(2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol has a molecular weight of 354.28 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylamino]butan-1-ol is sourced from PubChem (CID 51996369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).