4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline

C16H20N2 — CID 116952017

IUPAC4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
SMILESCNC(c1ccc(N)cc1)c1ccc(C)cc1C
InChIInChI=1S/C16H20N2/c1-11-4-9-15(12(2)10-11)16(18-3)13-5-7-14(17)8-6-13/h4-10,16,18H,17H2,1-3H3
InChIKeyKPTMQYZTDBIPMX-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.19
Rot. Bonds3

About 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline

4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline (PubChem CID 116952017) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline.

Molecular Properties

Compound Name4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
PubChem CID116952017
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
SMILESCNC(c1ccc(N)cc1)c1ccc(C)cc1C
InChIInChI=1S/C16H20N2/c1-11-4-9-15(12(2)10-11)16(18-3)13-5-7-14(17)8-6-13/h4-10,16,18H,17H2,1-3H3
InChIKeyKPTMQYZTDBIPMX-UHFFFAOYSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(R)-methylamino-(4-methylphenyl)methyl]aniline
CID 90212370
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
1-(2,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299389
1-(2,4-dimethylphenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 104990383
1-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43481207
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(2,4-dimethylphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487689
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588
1-(2,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)-N-methylmethanamine
CID 79693474
2,4-dimethylaniline;4-propan-2-ylaniline
CID 158951075
1-(2,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018513
1-(4,5-dimethylfuran-2-yl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 114249001

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline?
The IUPAC name of 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline (CID 116952017) is 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline.
What is the SMILES notation for 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline?
The canonical SMILES for 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline is CNC(c1ccc(N)cc1)c1ccc(C)cc1C.
What is the InChIKey of 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline?
The InChIKey is KPTMQYZTDBIPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-4-9-15(12(2)10-11)16(18-3)13-5-7-14(17)8-6-13/h4-10,16,18H,17H2,1-3H3.
What are the key properties of 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline?
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline is sourced from PubChem (CID 116952017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).