N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine

C17H20ClNO — CID 43435149

IUPACN-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccc(Cl)cc1)c1ccccc1OC
InChIInChI=1S/C17H20ClNO/c1-3-16(15-6-4-5-7-17(15)20-2)19-12-13-8-10-14(18)11-9-13/h4-11,16,19H,3,12H2,1-2H3
InChIKeyXQPVQVQUQAMUIS-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.59
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine

N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine (PubChem CID 43435149) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
PubChem CID43435149
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
SMILESCCC(NCc1ccc(Cl)cc1)c1ccccc1OC
InChIInChI=1S/C17H20ClNO/c1-3-16(15-6-4-5-7-17(15)20-2)19-12-13-8-10-14(18)11-9-13/h4-11,16,19H,3,12H2,1-2H3
InChIKeyXQPVQVQUQAMUIS-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-(2-methoxyphenyl)propan-1-amine
CID 43435153
N-[1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43693470
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 81349240
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
1-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]propan-1-amine
CID 43194840
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
2-[4-[[1-(2-methoxyphenyl)propylamino]methyl]pyrazol-1-yl]ethanol
CID 64829572
N-[(5-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine
CID 103943680
N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
CID 70442931
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine (CID 43435149) is N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine is CCC(NCc1ccc(Cl)cc1)c1ccccc1OC.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
The InChIKey is XQPVQVQUQAMUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-16(15-6-4-5-7-17(15)20-2)19-12-13-8-10-14(18)11-9-13/h4-11,16,19H,3,12H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine?
N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 43435149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).