2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine

C18H22ClNO — CID 82141384

IUPAC2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(Cl)cc1C(CN)Cc1cc(C)ccc1C
InChIInChI=1S/C18H22ClNO/c1-12-4-5-13(2)14(8-12)9-15(11-20)17-10-16(19)6-7-18(17)21-3/h4-8,10,15H,9,11,20H2,1-3H3
InChIKeyLFKMAMPKMIHLIU-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.25
Rot. Bonds5

About 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine

2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine (PubChem CID 82141384) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
PubChem CID82141384
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine
SMILESCOc1ccc(Cl)cc1C(CN)Cc1cc(C)ccc1C
InChIInChI=1S/C18H22ClNO/c1-12-4-5-13(2)14(8-12)9-15(11-20)17-10-16(19)6-7-18(17)21-3/h4-8,10,15H,9,11,20H2,1-3H3
InChIKeyLFKMAMPKMIHLIU-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 82139605
2-(5-chloro-2-methoxyphenyl)-3-methoxypropan-1-amine
CID 116835574
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
2-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
CID 82140382
2-[2-chloro-2-(2,5-dimethoxyphenyl)ethyl]-1,4-dimethylbenzene
CID 63429457
2-(5-tert-butyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 83975032
2-(5-ethyl-2-methoxyphenyl)-3-(2-methylphenyl)propan-1-amine
CID 82139945
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
2-[3-chloro-2-(2-methylphenyl)propyl]-1-methoxy-4-methylbenzene
CID 79418764
4-chloro-2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxybenzene
CID 63542851
3-(3,4-diethoxyphenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974597

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine (CID 82141384) is 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine is COc1ccc(Cl)cc1C(CN)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
The InChIKey is LFKMAMPKMIHLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12-4-5-13(2)14(8-12)9-15(11-20)17-10-16(19)6-7-18(17)21-3/h4-8,10,15H,9,11,20H2,1-3H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine?
2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine has a molecular weight of 303.83 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-3-(2,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 82141384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).