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

C18H22ClNO — CID 43562044

IUPACN-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1cccc(C)c1C
InChIInChI=1S/C18H22ClNO/c1-5-20-18(15-8-6-7-12(2)13(15)3)16-10-9-14(21-4)11-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyILJPRDXKWMRAIK-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.66
Rot. Bonds5

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

N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine (PubChem CID 43562044) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
PubChem CID43562044
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)cc1Cl)c1cccc(C)c1C
InChIInChI=1S/C18H22ClNO/c1-5-20-18(15-8-6-7-12(2)13(15)3)16-10-9-14(21-4)11-17(16)19/h6-11,18,20H,5H2,1-4H3
InChIKeyILJPRDXKWMRAIK-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-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040
N-[(2,3-dimethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489235
N-[(4-chloro-3-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105006810
N-[(2-fluoro-4-methoxyphenyl)-(2-fluoro-3-methylphenyl)methyl]ethanamine
CID 81480508
N-[(2-chloro-4-methoxyphenyl)-(furan-2-yl)methyl]ethanamine
CID 43562069
N-[(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methyl]propan-1-amine
CID 43562132
N-[(2-chloro-5-fluorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 105397113
N-[(2-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methyl]ethanamine
CID 81315884
N-[(2-bromo-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 43562063
N-[(2,3-dimethylphenyl)-(5-methoxy-3-pyridinyl)methyl]ethanamine
CID 105025837
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine (CID 43562044) is N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(OC)cc1Cl)c1cccc(C)c1C.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
The InChIKey is ILJPRDXKWMRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-5-20-18(15-8-6-7-12(2)13(15)3)16-10-9-14(21-4)11-17(16)19/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine?
N-[(2-chloro-4-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-[(2-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43562044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).