N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine

C18H22ClNO — CID 105006810

IUPACN-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cccc(C)c1C
InChIInChI=1S/C18H22ClNO/c1-5-20-18(15-8-6-7-12(2)13(15)3)14-9-10-16(19)17(11-14)21-4/h6-11,18,20H,5H2,1-4H3
InChIKeyYLVCCKXGODLPQK-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.66
Rot. Bonds5

About N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine

N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 105006810) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID105006810
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)c(OC)c1)c1cccc(C)c1C
InChIInChI=1S/C18H22ClNO/c1-5-20-18(15-8-6-7-12(2)13(15)3)14-9-10-16(19)17(11-14)21-4/h6-11,18,20H,5H2,1-4H3
InChIKeyYLVCCKXGODLPQK-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489235
N-[(4-chloro-3-methoxyphenyl)-(2-iodophenyl)methyl]ethanamine
CID 105006994
N-[(4-chloro-3-methoxyphenyl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105164579
N-[(4-chloro-3-methoxyphenyl)-(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 105164557
N-[(4-chloro-3-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 79700808
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 43562044
N-[(4-chloro-3-methoxyphenyl)-(1,5-dimethylpyrazol-4-yl)methyl]ethanamine
CID 105164576
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[(3-chloro-2-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 107102020
N-[(3-bromo-4-methoxyphenyl)-(2-bromo-3-methylphenyl)methyl]ethanamine
CID 107981905
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 105006810) is N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)c(OC)c1)c1cccc(C)c1C.
What is the InChIKey of N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is YLVCCKXGODLPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-5-20-18(15-8-6-7-12(2)13(15)3)14-9-10-16(19)17(11-14)21-4/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 105006810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).