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

C17H21N — CID 55062468

IUPAC2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CCNCc2cccc(C)c2)c1
InChIInChI=1S/C17H21N/c1-14-5-3-7-16(11-14)9-10-18-13-17-8-4-6-15(2)12-17/h3-8,11-12,18H,9-10,13H2,1-2H3
InChIKeyFFIIVEQUSKYKEA-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.64
Rot. Bonds5

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

2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine (PubChem CID 55062468) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
PubChem CID55062468
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
SMILESCc1cccc(CCNCc2cccc(C)c2)c1
InChIInChI=1S/C17H21N/c1-14-5-3-7-16(11-14)9-10-18-13-17-8-4-6-15(2)12-17/h3-8,11-12,18H,9-10,13H2,1-2H3
InChIKeyFFIIVEQUSKYKEA-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.64
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-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 62314610
N-[(4-fluorophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62314975
2-(4-methoxyphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 2063770
2,6-difluoro-4-[[2-(3-methylphenyl)ethylamino]methyl]phenol
CID 79832467
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(3-methylphenyl)ethanamine
CID 62312995
N-[(2-bromophenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 55062660
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
4-[[2-(3-methylphenyl)ethylamino]methyl]benzamide
CID 62314630
N'-[2-[2-[(3-methylphenyl)methylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 69241095
2-(cyclopenten-1-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 115762870
3-chloro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 115215880

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The IUPAC name of 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine (CID 55062468) is 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine is Cc1cccc(CCNCc2cccc(C)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
The InChIKey is FFIIVEQUSKYKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-5-3-7-16(11-14)9-10-18-13-17-8-4-6-15(2)12-17/h3-8,11-12,18H,9-10,13H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine?
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine has a molecular weight of 239.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 55062468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).