3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine

C16H18ClNO — CID 82141792

IUPAC3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
SMILESCOc1ccc(CC(CN)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-19-16-8-7-12(10-15(16)17)9-14(11-18)13-5-3-2-4-6-13/h2-8,10,14H,9,11,18H2,1H3
InChIKeyFIMIECHLPKHNLS-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.63
Rot. Bonds5

About 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine

3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine (PubChem CID 82141792) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
PubChem CID82141792
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine
SMILESCOc1ccc(CC(CN)c2ccccc2)cc1Cl
InChIInChI=1S/C16H18ClNO/c1-19-16-8-7-12(10-15(16)17)9-14(11-18)13-5-3-2-4-6-13/h2-8,10,14H,9,11,18H2,1H3
InChIKeyFIMIECHLPKHNLS-UHFFFAOYSA-N
XLogP3.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methoxyphenyl)-3-(3,4-dichlorophenyl)propan-1-amine
CID 112538861
4-[3-amino-2-(3-chloro-4-methoxyphenyl)propyl]-2-chlorophenol
CID 83973477
3-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)propan-1-amine
CID 83973751
3-(3-chloro-4-methoxyphenyl)-2-(2-methoxy-4,5-dimethylphenyl)propan-1-amine
CID 83974913
3-(3-chloro-4-methoxyphenyl)-2-phenylpropanenitrile
CID 82141770
5-[3-amino-2-(4-chlorophenyl)propyl]-2-methoxyphenol
CID 82160848
3-(4-chloro-3-fluorophenyl)-2-phenylpropan-1-amine
CID 114013903
4-[1-amino-3-(3-chloro-4-ethoxyphenyl)propan-2-yl]phenol
CID 83975417
2-amino-4-(3-amino-2-phenylpropyl)-6-methoxyphenol
CID 82160813
3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
4-(3-chloro-2-phenylpropyl)-2-fluoro-1-methoxybenzene
CID 66033669
3-(3-ethoxy-4-methoxyphenyl)-2-(4-propan-2-ylphenyl)propan-1-amine
CID 83973107

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine (CID 82141792) is 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine is COc1ccc(CC(CN)c2ccccc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine?
The InChIKey is FIMIECHLPKHNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-19-16-8-7-12(10-15(16)17)9-14(11-18)13-5-3-2-4-6-13/h2-8,10,14H,9,11,18H2,1H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine?
3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-2-phenylpropan-1-amine is sourced from PubChem (CID 82141792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).