N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine

C16H18ClN — CID 82883967

IUPACN-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(Cl)ccc1C
InChIInChI=1S/C16H18ClN/c1-3-18-16(13-7-5-4-6-8-13)15-11-14(17)10-9-12(15)2/h4-11,16,18H,3H2,1-2H3
InChIKeyZFKDODCQASSYTG-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.35
Rot. Bonds4

About N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine

N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine (PubChem CID 82883967) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
PubChem CID82883967
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1cc(Cl)ccc1C
InChIInChI=1S/C16H18ClN/c1-3-18-16(13-7-5-4-6-8-13)15-11-14(17)10-9-12(15)2/h4-11,16,18H,3H2,1-2H3
InChIKeyZFKDODCQASSYTG-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)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(2-chloro-4,5-dimethylphenyl)-phenylmethyl]ethanamine
CID 115484059
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]ethanamine
CID 43489020
N-[(5-chloro-2-methylphenyl)-(2,6-difluorophenyl)methyl]ethanamine
CID 115859932
N-[(5-chloro-2-methylphenyl)-(furan-2-yl)methyl]ethanamine
CID 82883059
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 64989691
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]propan-1-amine
CID 43494881

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine (CID 82883967) is N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine?
The InChIKey is ZFKDODCQASSYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-3-18-16(13-7-5-4-6-8-13)15-11-14(17)10-9-12(15)2/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-phenylmethyl]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-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 82883967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).