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

C16H20N2 — CID 43383822

IUPAC2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
SMILESCc1cccc(CN(C)Cc2ccccc2N)c1
InChIInChI=1S/C16H20N2/c1-13-6-5-7-14(10-13)11-18(2)12-15-8-3-4-9-16(15)17/h3-10H,11-12,17H2,1-2H3
InChIKeySLAKZTUQOZOGFU-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.21
Rot. Bonds4

About 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline

2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline (PubChem CID 43383822) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline.

Molecular Properties

Compound Name2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
PubChem CID43383822
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
SMILESCc1cccc(CN(C)Cc2ccccc2N)c1
InChIInChI=1S/C16H20N2/c1-13-6-5-7-14(10-13)11-18(2)12-15-8-3-4-9-16(15)17/h3-10H,11-12,17H2,1-2H3
InChIKeySLAKZTUQOZOGFU-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-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
2-fluoro-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]benzonitrile
CID 103912076
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
2-[[methyl(naphthalen-1-ylmethyl)amino]methyl]aniline
CID 43458604
2-methyl-3-[[methyl-[(4-methylphenyl)methyl]amino]methyl]aniline
CID 43509157
[3-fluoro-4-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 61414070
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
3-methoxy-5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 81150368
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221
2-[[(2,5-dichlorophenyl)methyl-methylamino]methyl]aniline
CID 65317637

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The IUPAC name of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline (CID 43383822) is 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline.
What is the SMILES notation for 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The canonical SMILES for 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline is Cc1cccc(CN(C)Cc2ccccc2N)c1.
What is the InChIKey of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
The InChIKey is SLAKZTUQOZOGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-13-6-5-7-14(10-13)11-18(2)12-15-8-3-4-9-16(15)17/h3-10H,11-12,17H2,1-2H3.
What are the key properties of 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline?
2-[[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 2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline is sourced from PubChem (CID 43383822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).