3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline

C16H20N2 — CID 43383732

IUPAC3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
SMILESCc1cccc(CN(C)Cc2cccc(N)c2)c1
InChIInChI=1S/C16H20N2/c1-13-5-3-6-14(9-13)11-18(2)12-15-7-4-8-16(17)10-15/h3-10H,11-12,17H2,1-2H3
InChIKeyZVUJUXRBCZCBTN-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.21
Rot. Bonds4

About 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline

3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline (PubChem CID 43383732) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
PubChem CID43383732
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
SMILESCc1cccc(CN(C)Cc2cccc(N)c2)c1
InChIInChI=1S/C16H20N2/c1-13-5-3-6-14(9-13)11-18(2)12-15-7-4-8-16(17)10-15/h3-10H,11-12,17H2,1-2H3
InChIKeyZVUJUXRBCZCBTN-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 81150368
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
3-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]aniline
CID 61426758
3-[[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]methyl]aniline
CID 43457992
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
4-[methyl-[(3-methylphenyl)methyl]amino]butan-2-one
CID 62031141
3-[[2,2-difluoroethyl(methyl)amino]methyl]aniline
CID 60923207
4-[[(3-aminophenyl)methyl-methylamino]methyl]benzonitrile
CID 43457946
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline (CID 43383732) is 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline is Cc1cccc(CN(C)Cc2cccc(N)c2)c1.
What is the InChIKey of 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The InChIKey is ZVUJUXRBCZCBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-5-3-6-14(9-13)11-18(2)12-15-7-4-8-16(17)10-15/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline has a molecular weight of 240.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 43383732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).