2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine

C16H18ClNO — CID 61077971

IUPAC2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C16H18ClNO/c1-11-3-6-13(10-16(11)19-2)15(18)9-12-4-7-14(17)8-5-12/h3-8,10,15H,9,18H2,1-2H3
InChIKeySLZKOOONDZLVEP-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.90
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine

2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (PubChem CID 61077971) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
PubChem CID61077971
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
SMILESCOc1cc(C(N)Cc2ccc(Cl)cc2)ccc1C
InChIInChI=1S/C16H18ClNO/c1-11-3-6-13(10-16(11)19-2)15(18)9-12-4-7-14(17)8-5-12/h3-8,10,15H,9,18H2,1-2H3
InChIKeySLZKOOONDZLVEP-UHFFFAOYSA-N
XLogP3.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 81284853
2-(2,6-dichlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115830327
1-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)ethanamine
CID 81472195
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115864950
2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
1-(4-chloro-3-methylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 115829672
2-(5-bromo-3-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 105036758
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
2-(3-chloro-4-pyridinyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 112655524
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
CID 62553466

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine (CID 61077971) is 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is COc1cc(C(N)Cc2ccc(Cl)cc2)ccc1C.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
The InChIKey is SLZKOOONDZLVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-3-6-13(10-16(11)19-2)15(18)9-12-4-7-14(17)8-5-12/h3-8,10,15H,9,18H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine?
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine is sourced from PubChem (CID 61077971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).