N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine

C17H21N — CID 145495304

IUPACN-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
SMILESCNCc1cccc(CCc2cccc(C)c2)c1
InChIInChI=1S/C17H21N/c1-14-5-3-6-15(11-14)9-10-16-7-4-8-17(12-16)13-18-2/h3-8,11-12,18H,9-10,13H2,1-2H3
InChIKeyFLDJSOQPKBLWPE-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine

N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine (PubChem CID 145495304) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
PubChem CID145495304
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC NameN-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine
SMILESCNCc1cccc(CCc2cccc(C)c2)c1
InChIInChI=1S/C17H21N/c1-14-5-3-6-15(11-14)9-10-16-7-4-8-17(12-16)13-18-2/h3-8,11-12,18H,9-10,13H2,1-2H3
InChIKeyFLDJSOQPKBLWPE-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-methyl-1-[3-[(3-methylphenoxy)methyl]phenyl]methanamine
CID 55077028
N-methyl-1-[2-[(3-methylphenyl)methyl]pyrimidin-5-yl]methanamine
CID 62757123
N-[3-(methylaminomethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 62388896
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
2-(3-methylphenyl)ethanolate
CID 142208639
N-methyl-1-[3-methyl-4-(3-methylphenyl)phenyl]methanamine
CID 66480423
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
N-[(Z)-ethylideneamino]-1-(3-methylphenyl)methanamine
CID 155067915
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
1-[3,5-dibromo-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 107741925

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine (CID 145495304) is N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine is CNCc1cccc(CCc2cccc(C)c2)c1.
What is the InChIKey of N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine?
The InChIKey is FLDJSOQPKBLWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-14-5-3-6-15(11-14)9-10-16-7-4-8-17(12-16)13-18-2/h3-8,11-12,18H,9-10,13H2,1-2H3.
What are the key properties of N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine?
N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine has a molecular weight of 239.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(3-methylphenyl)ethyl]phenyl]methanamine is sourced from PubChem (CID 145495304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).