(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol

C17H20ClNO2 — CID 40761793

IUPAC(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-13(20)10-19-11-14-4-8-17(9-5-14)21-12-15-2-6-16(18)7-3-15/h2-9,13,19-20H,10-12H2,1H3/t13-/m1/s1
InChIKeyAGLGRNZCZMHSDV-CYBMUJFWSA-N
MW305.81 g/mol
LogP3.39
Rot. Bonds7

About (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol

(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol (PubChem CID 40761793) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
PubChem CID40761793
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
SMILESC[C@@H](O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2/c1-13(20)10-19-11-14-4-8-17(9-5-14)21-12-15-2-6-16(18)7-3-15/h2-9,13,19-20H,10-12H2,1H3/t13-/m1/s1
InChIKeyAGLGRNZCZMHSDV-CYBMUJFWSA-N
XLogP3.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol;hydrochloride
CID 17290395
1-[(4-chlorophenyl)methylamino]propan-2-ol;hydrochloride
CID 17290383
N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]ethanamine;hydrochloride
CID 17290745
(2S)-1-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 29188023
(2R)-1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylamino]propan-2-ol
CID 51996850
2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethanol
CID 4721972
1-[2-[(4-chlorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294470
(2S)-1-[[4-(methoxymethyl)phenyl]methylamino]propan-2-ol
CID 103884134
1-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 4715930
1-[(4-prop-2-enoxyphenyl)methylamino]propan-2-ol;hydrochloride
CID 17290477
1-[[4-(2-methylprop-2-enoxy)phenyl]methylamino]propan-2-ol
CID 54849083
1-[4-[(4-chlorophenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6458719

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol (CID 40761793) is (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol is C[C@@H](O)CNCc1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
The InChIKey is AGLGRNZCZMHSDV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-13(20)10-19-11-14-4-8-17(9-5-14)21-12-15-2-6-16(18)7-3-15/h2-9,13,19-20H,10-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol?
(2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol has a molecular weight of 305.81 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 40761793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).