3-[(dimethylamino)methyl]-N-phenylaniline

C15H18N2 — CID 173320558

IUPAC3-[(dimethylamino)methyl]-N-phenylaniline
SMILESCN(C)Cc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-17(2)12-13-7-6-10-15(11-13)16-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3
InChIKeyXICAGQPUKSIYCH-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.49
Rot. Bonds4

About 3-[(dimethylamino)methyl]-N-phenylaniline

3-[(dimethylamino)methyl]-N-phenylaniline (PubChem CID 173320558) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-phenylaniline.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-phenylaniline
PubChem CID173320558
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-[(dimethylamino)methyl]-N-phenylaniline
SMILESCN(C)Cc1cccc(Nc2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-17(2)12-13-7-6-10-15(11-13)16-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3
InChIKeyXICAGQPUKSIYCH-UHFFFAOYSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(dimethylamino)methyl]anilino]propanoic acid
CID 66173910
4-N-[3-[(dimethylamino)methyl]phenyl]pyrimidine-4,6-diamine
CID 66670014
2-[3-[(dimethylamino)methyl]anilino]butanoic acid
CID 113292403
(3-anilinophenyl)methyl-propylcarbamic acid
CID 67551661
[3-[(dimethylamino)methyl]phenyl]sulfamic acid
CID 123946083
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dimethyl-1-phenylmethanamine;tetrahydrochloride
CID 172854351
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
3-[(dimethylamino)methyl]-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329226
N-(cyclopropylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43688859
3-[(dimethylamino)methyl]-N-pentylaniline
CID 43688686

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-phenylaniline?
The IUPAC name of 3-[(dimethylamino)methyl]-N-phenylaniline (CID 173320558) is 3-[(dimethylamino)methyl]-N-phenylaniline.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-phenylaniline?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-phenylaniline is CN(C)Cc1cccc(Nc2ccccc2)c1.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-phenylaniline?
The InChIKey is XICAGQPUKSIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-17(2)12-13-7-6-10-15(11-13)16-14-8-4-3-5-9-14/h3-11,16H,12H2,1-2H3.
What are the key properties of 3-[(dimethylamino)methyl]-N-phenylaniline?
3-[(dimethylamino)methyl]-N-phenylaniline has a molecular weight of 226.32 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-phenylaniline is sourced from PubChem (CID 173320558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).