1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine

C17H20ClNO — CID 65025474

IUPAC1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine
SMILESCOc1ccccc1CNC(CCl)Cc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-20-17-10-6-5-9-15(17)13-19-16(12-18)11-14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3
InChIKeyKJFLIKZCRZGERY-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.63
Rot. Bonds7

About 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine

1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine (PubChem CID 65025474) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine.

Molecular Properties

Compound Name1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine
PubChem CID65025474
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine
SMILESCOc1ccccc1CNC(CCl)Cc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-20-17-10-6-5-9-15(17)13-19-16(12-18)11-14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3
InChIKeyKJFLIKZCRZGERY-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65025817
4-[(2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 120511898
N-[(2-bromophenyl)methyl]-1-chloro-3-phenylpropan-2-amine
CID 65026156
1-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-3-phenylpropan-2-amine
CID 65025532
N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
2-[(5-chloro-2-methoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 63261455
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
(2S)-N-[(2-methoxyphenyl)methyl]-4-methyl-1-phenylmethoxypentan-2-amine
CID 59084840
4-[(5-fluoro-2-methoxyphenyl)methylamino]-5-phenylpentanoic acid
CID 122045765
N-(1-benzothiophen-3-ylmethyl)-1-chloro-3-phenylpropan-2-amine
CID 65026043
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 43177778

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine?
The IUPAC name of 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine (CID 65025474) is 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine.
What is the SMILES notation for 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine?
The canonical SMILES for 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine is COc1ccccc1CNC(CCl)Cc1ccccc1.
What is the InChIKey of 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine?
The InChIKey is KJFLIKZCRZGERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-20-17-10-6-5-9-15(17)13-19-16(12-18)11-14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3.
What are the key properties of 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine?
1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[(2-methoxyphenyl)methyl]-3-phenylpropan-2-amine is sourced from PubChem (CID 65025474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).