N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine

C16H18ClN — CID 43489020

IUPACN-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccccc1C
InChIInChI=1S/C16H18ClN/c1-3-18-16(13-8-10-14(17)11-9-13)15-7-5-4-6-12(15)2/h4-11,16,18H,3H2,1-2H3
InChIKeySIYZJHMEWXAVLA-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.35
Rot. Bonds4

About N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine

N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine (PubChem CID 43489020) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
PubChem CID43489020
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(Cl)cc1)c1ccccc1C
InChIInChI=1S/C16H18ClN/c1-3-18-16(13-8-10-14(17)11-9-13)15-7-5-4-6-12(15)2/h4-11,16,18H,3H2,1-2H3
InChIKeySIYZJHMEWXAVLA-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(2-chloro-4,5-dimethylphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115484011
N-[(2-methylphenyl)-naphthalen-2-ylmethyl]ethanamine
CID 63413907
N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(4-chlorophenyl)-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 43488937
N-[[1-(4-chlorophenyl)cyclobutyl]-(2-methylphenyl)methyl]ethanamine
CID 143871078
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(3-chloro-4-methylthiophen-2-yl)-(4-chlorophenyl)methyl]ethanamine
CID 103400778
N-[(3,5-dichlorophenyl)-(2,3-dimethylphenyl)methyl]ethanamine
CID 115850439
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989694

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine (CID 43489020) is N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine is CCNC(c1ccc(Cl)cc1)c1ccccc1C.
What is the InChIKey of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine?
The InChIKey is SIYZJHMEWXAVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-3-18-16(13-8-10-14(17)11-9-13)15-7-5-4-6-12(15)2/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine?
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 43489020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).