N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine

C16H18ClN — CID 78910558

IUPACN-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN/c1-13-5-2-3-7-15(13)9-10-18-12-14-6-4-8-16(17)11-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyFGIIFXPSBFIPHU-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.98
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine

N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 78910558) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID78910558
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN/c1-13-5-2-3-7-15(13)9-10-18-12-14-6-4-8-16(17)11-14/h2-8,11,18H,9-10,12H2,1H3
InChIKeyFGIIFXPSBFIPHU-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 106816930
3-[[2-(2-methylphenyl)ethylamino]methyl]phenol
CID 78910580
N-benzyl-2-(3-chlorophenyl)ethanamine
CID 39349071
2-(3-chlorophenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 39380174
1-(3-chlorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 63016247
N-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylphenyl)ethanamine
CID 112652160
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenyl)ethanamine
CID 112722432
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
N-[2-(3-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996547
N-[(3-chlorophenyl)methyl]-2-(3,5-difluorophenyl)ethanamine
CID 62315704
N-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]aniline
CID 115212839
N-[(3-chlorophenyl)methyl]-2-fluoroethanamine
CID 80694369

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine (CID 78910558) is N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is FGIIFXPSBFIPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-13-5-2-3-7-15(13)9-10-18-12-14-6-4-8-16(17)11-14/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 259.78 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 78910558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).