(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine

C17H20ClNO2 — CID 62542898

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-4-11-5-7-12(8-6-11)16(19)13-9-14(18)17(21-3)15(10-13)20-2/h5-10,16H,4,19H2,1-3H3
InChIKeyCBQZWIWCZWMYQB-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.97
Rot. Bonds5

About (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine

(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine (PubChem CID 62542898) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine
PubChem CID62542898
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine
SMILESCCc1ccc(C(N)c2cc(Cl)c(OC)c(OC)c2)cc1
InChIInChI=1S/C17H20ClNO2/c1-4-11-5-7-12(8-6-11)16(19)13-9-14(18)17(21-3)15(10-13)20-2/h5-10,16H,4,19H2,1-3H3
InChIKeyCBQZWIWCZWMYQB-UHFFFAOYSA-N
XLogP3.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928
(4-fluorophenyl)-(3,4,5-trimethoxyphenyl)methanamine
CID 24688997
1-(3-chloro-4,5-dimethoxyphenyl)-2-(3-fluorophenyl)ethanamine
CID 60955806
1-(3-chloro-4,5-dimethoxyphenyl)-4-methylpentan-1-amine
CID 62601776
1-(3-chloro-4,5-dimethoxyphenyl)pent-4-yn-1-amine
CID 63655288
(4-chloro-3-methoxyphenyl)-(4-propan-2-ylphenyl)methanamine
CID 79700112
1-(3-chloro-4,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 60956072
3-amino-3-(3-chloro-4,5-dimethoxyphenyl)propanoic acid
CID 170872581
[(3-chloro-4,5-dimethoxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105204556
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404
(4-ethylphenyl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198378

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine (CID 62542898) is (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine is CCc1ccc(C(N)c2cc(Cl)c(OC)c(OC)c2)cc1.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine?
The InChIKey is CBQZWIWCZWMYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-4-11-5-7-12(8-6-11)16(19)13-9-14(18)17(21-3)15(10-13)20-2/h5-10,16H,4,19H2,1-3H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine?
(3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine has a molecular weight of 305.81 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(4-ethylphenyl)methanamine is sourced from PubChem (CID 62542898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).