N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline

C17H22N2 — CID 105094823

IUPACN,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline
SMILESCNC(c1ccc(N(C)C)cc1)c1ccccc1C
InChIInChI=1S/C17H22N2/c1-13-7-5-6-8-16(13)17(18-2)14-9-11-15(12-10-14)19(3)4/h5-12,17-18H,1-4H3
InChIKeyZYFDJCCGIUPRPO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.37
Rot. Bonds4

About N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline

N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline (PubChem CID 105094823) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline
PubChem CID105094823
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline
SMILESCNC(c1ccc(N(C)C)cc1)c1ccccc1C
InChIInChI=1S/C17H22N2/c1-13-7-5-6-8-16(13)17(18-2)14-9-11-15(12-10-14)19(3)4/h5-12,17-18H,1-4H3
InChIKeyZYFDJCCGIUPRPO-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.37
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

N,N-dimethyl-4-[methylamino(phenyl)methyl]aniline
CID 115970393
1-(4-tert-butylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43484460
4-[(4-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105088233
N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
CID 105146542
4-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189461
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1-(2,6-dichlorophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115794941
1-(6-bromonaphthalen-2-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 115795109
N-methyl-1-(2-methylphenyl)-1-quinolin-3-ylmethanamine
CID 60924531
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(1,3-dihydro-2-benzofuran-5-yl)-N-methyl-1-(2-methylphenyl)methanamine
CID 63020408
4-[(3-fluorophenyl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105092995

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline (CID 105094823) is N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline is CNC(c1ccc(N(C)C)cc1)c1ccccc1C.
What is the InChIKey of N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline?
The InChIKey is ZYFDJCCGIUPRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-13-7-5-6-8-16(13)17(18-2)14-9-11-15(12-10-14)19(3)4/h5-12,17-18H,1-4H3.
What are the key properties of N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline?
N,N-dimethyl-4-[methylamino-(2-methylphenyl)methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.37, 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-(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 105094823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).