N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline

C16H20N2 — CID 115970393

IUPACN,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
SMILESCNC(c1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H20N2/c1-17-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(2)3/h4-12,16-17H,1-3H3
InChIKeyMORMINGHVVGKJK-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.06
Rot. Bonds4

About N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline

N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline (PubChem CID 115970393) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
PubChem CID115970393
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
SMILESCNC(c1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H20N2/c1-17-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(2)3/h4-12,16-17H,1-3H3
InChIKeyMORMINGHVVGKJK-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105088233
4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105092995
N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline
CID 105094823
[4-[methylamino(phenyl)methyl]phenyl]methanediamine
CID 165139654
4-[[[4-(dimethylamino)phenyl]-phenylmethoxy]-phenylmethyl]-N,N-dimethylaniline
CID 102127317
CID 69241188
CID 69241188
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethyl-4-[methylamino-(3-methyltriazol-4-yl)methyl]aniline
CID 105184667
4-[(2-chlorophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 22115274
N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
CID 105146542
1-(4-butan-2-ylphenyl)-N-methyl-1-phenylmethanamine
CID 43483039
4-[(4-iodophenyl)-phenylmethyl]-N,N-dimethylaniline
CID 138551235

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline (CID 115970393) is N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline is CNC(c1ccccc1)c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline?
The InChIKey is MORMINGHVVGKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-17-16(13-7-5-4-6-8-13)14-9-11-15(12-10-14)18(2)3/h4-12,16-17H,1-3H3.
What are the key properties of N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline?
N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline is sourced from PubChem (CID 115970393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).