2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline

C17H22N2 — CID 43435902

IUPAC2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2ccccc2CN(C)C)c1
InChIInChI=1S/C17H22N2/c1-14-7-6-8-15(11-14)12-18-17-10-5-4-9-16(17)13-19(2)3/h4-11,18H,12-13H2,1-3H3
InChIKeyHKRICSAJJBIBKV-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.67
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline

2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline (PubChem CID 43435902) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
PubChem CID43435902
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline
SMILESCc1cccc(CNc2ccccc2CN(C)C)c1
InChIInChI=1S/C17H22N2/c1-14-7-6-8-15(11-14)12-18-17-10-5-4-9-16(17)13-19(2)3/h4-11,18H,12-13H2,1-3H3
InChIKeyHKRICSAJJBIBKV-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]aniline
CID 43750090
N-[(3-methylphenyl)methyl]-2-propylaniline
CID 43432338
N-[(3-chloro-4-methylphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 106816557
N-[(3-methylphenyl)methyl]naphthalen-1-amine
CID 23820233
2-[(dimethylamino)methyl]-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104749132
5-[(dimethylamino)methyl]-2-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43686510
N-[(3-bromo-4-methoxyphenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43792047
N-[(2,6-difluorophenyl)methyl]-2-[(dimethylamino)methyl]aniline
CID 43750094
N-[[4-(difluoromethyl)phenyl]methyl]-2-[(dimethylamino)methyl]aniline
CID 115523780
2-[(dimethylamino)methyl]-N-[(4-nitrophenyl)methyl]aniline
CID 43750052
3-[[2-(diethylaminomethyl)anilino]methyl]phenol
CID 43729325
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline?
The IUPAC name of 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline (CID 43435902) is 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline is Cc1cccc(CNc2ccccc2CN(C)C)c1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline?
The InChIKey is HKRICSAJJBIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-7-6-8-15(11-14)12-18-17-10-5-4-9-16(17)13-19(2)3/h4-11,18H,12-13H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline?
2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-[(3-methylphenyl)methyl]aniline is sourced from PubChem (CID 43435902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).