(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine

C16H18ClNO — CID 105018869

IUPAC(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C16H18ClNO/c1-3-11-5-4-6-12(9-11)16(18)14-8-7-13(17)10-15(14)19-2/h4-10,16H,3,18H2,1-2H3
InChIKeyFEAPQUSDWBIXJQ-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.96
Rot. Bonds4

About (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine

(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine (PubChem CID 105018869) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine
PubChem CID105018869
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine
SMILESCCc1cccc(C(N)c2ccc(Cl)cc2OC)c1
InChIInChI=1S/C16H18ClNO/c1-3-11-5-4-6-12(9-11)16(18)14-8-7-13(17)10-15(14)19-2/h4-10,16H,3,18H2,1-2H3
InChIKeyFEAPQUSDWBIXJQ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanamine
CID 115811290
(2-methoxyphenyl)-(3-propylphenyl)methanamine
CID 116543821
(4-chloro-2-methoxyphenyl)-(3,5-difluorophenyl)methanamine
CID 115851745
(4-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanamine
CID 115862069
1-(4-chloro-2-methoxyphenyl)-2-methoxyethanamine
CID 112693324
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 105016596
3-amino-1-(4-chloro-2-methoxyphenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186666
(2,4-dibromophenyl)-(3-ethylphenyl)methanamine
CID 107946458
1-(4-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 167530953
(2-bromo-5-methylphenyl)-(3-ethylphenyl)methanamine
CID 105018919
(4-chloro-2-methylphenyl)-(3-methoxyphenyl)methanamine
CID 114028288

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine (CID 105018869) is (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine is CCc1cccc(C(N)c2ccc(Cl)cc2OC)c1.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine?
The InChIKey is FEAPQUSDWBIXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-11-5-4-6-12(9-11)16(18)14-8-7-13(17)10-15(14)19-2/h4-10,16H,3,18H2,1-2H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine?
(4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(3-ethylphenyl)methanamine is sourced from PubChem (CID 105018869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).