1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine

C16H18ClNO — CID 65446088

IUPAC1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-7,9-10,16H,8,11,18H2,1H3
InChIKeyJXNYWIKLGUDRRJ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.98
Rot. Bonds5

About 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine

1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine (PubChem CID 65446088) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
PubChem CID65446088
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(CCC(N)c2ccccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-7,9-10,16H,8,11,18H2,1H3
InChIKeyJXNYWIKLGUDRRJ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-phenylpropan-1-amine
CID 54014885
1-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115533560
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 65446090
1-(5-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114886007
1-(3-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 115864744
1-(2-bromofuran-3-yl)-3-(4-methoxyphenyl)propan-1-amine
CID 106857738
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
(1S)-1-(2-chlorophenyl)butan-1-amine
CID 55278025
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
1-(5-bromo-2-fluorophenyl)-3-(4-methoxyphenyl)propan-1-amine
CID 114894603
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503950

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine (CID 65446088) is 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine is COc1ccc(CCC(N)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
The InChIKey is JXNYWIKLGUDRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-19-13-9-6-12(7-10-13)8-11-16(18)14-4-2-3-5-15(14)17/h2-7,9-10,16H,8,11,18H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine?
1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 65446088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).