1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine

C17H20ClNO — CID 82541451

IUPAC1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C17H20ClNO/c1-4-16(19)13-7-5-12(6-8-13)14-9-11(2)15(18)10-17(14)20-3/h5-10,16H,4,19H2,1-3H3
InChIKeyQPBYHTZXDNUPQO-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.73
Rot. Bonds4

About 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine

1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine (PubChem CID 82541451) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine
PubChem CID82541451
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine
SMILESCCC(N)c1ccc(-c2cc(C)c(Cl)cc2OC)cc1
InChIInChI=1S/C17H20ClNO/c1-4-16(19)13-7-5-12(6-8-13)14-9-11(2)15(18)10-17(14)20-3/h5-10,16H,4,19H2,1-3H3
InChIKeyQPBYHTZXDNUPQO-UHFFFAOYSA-N
XLogP4.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
1-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 61026046
1-(4-chloro-3-methylphenyl)propan-1-amine
CID 15594744
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
CID 82540716
1-(3,4-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 22669212
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117
1-[3-(3-chloro-4-methoxyphenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 106223910
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
(1R)-1-(4-chloro-3-methoxyphenyl)hexan-1-amine;hydrochloride
CID 171211119
1-(4-chloro-3-methoxyphenyl)decan-1-amine
CID 105006970

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine?
The IUPAC name of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine (CID 82541451) is 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine?
The canonical SMILES for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine is CCC(N)c1ccc(-c2cc(C)c(Cl)cc2OC)cc1.
What is the InChIKey of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine?
The InChIKey is QPBYHTZXDNUPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-4-16(19)13-7-5-12(6-8-13)14-9-11(2)15(18)10-17(14)20-3/h5-10,16H,4,19H2,1-3H3.
What are the key properties of 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine?
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine is sourced from PubChem (CID 82541451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).