N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine

C18H22ClN — CID 64989854

IUPACN-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)cc1C)c1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-5-20-18(15-8-6-7-9-17(15)19)16-11-13(3)12(2)10-14(16)4/h6-11,18,20H,5H2,1-4H3
InChIKeyAWGKBTGSLUUQSI-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.96
Rot. Bonds4

About N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine

N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine (PubChem CID 64989854) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
PubChem CID64989854
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC NameN-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)c(C)cc1C)c1ccccc1Cl
InChIInChI=1S/C18H22ClN/c1-5-20-18(15-8-6-7-9-17(15)19)16-11-13(3)12(2)10-14(16)4/h6-11,18,20H,5H2,1-4H3
InChIKeyAWGKBTGSLUUQSI-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989694
N-[(2-chloro-4-fluoro-5-methylphenyl)-(2-chlorophenyl)methyl]ethanamine
CID 81045063
[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105211144
N-[(4-chloro-2,5-dimethylphenyl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 81267229
N-[(2-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methyl]ethanamine
CID 106878377
N-[(2-chloro-4,5-difluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 107476507
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 81269079
N-[(2-chloro-4,5-dimethylphenyl)-(2-chloro-4-fluorophenyl)methyl]ethanamine
CID 115484037
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(3-chloro-2-methylphenyl)-(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 107102278
N-[(2-chloro-3-fluorophenyl)-(2-chlorophenyl)methyl]ethanamine
CID 115801146

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine (CID 64989854) is N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine is CCNC(c1cc(C)c(C)cc1C)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
The InChIKey is AWGKBTGSLUUQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-5-20-18(15-8-6-7-9-17(15)19)16-11-13(3)12(2)10-14(16)4/h6-11,18,20H,5H2,1-4H3.
What are the key properties of N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine?
N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 64989854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).