2-[(benzylamino)methyl]-4-methylaniline

C15H18N2 — CID 12628937

IUPAC2-[(benzylamino)methyl]-4-methylaniline
SMILESCc1ccc(N)c(CNCc2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-12-7-8-15(16)14(9-12)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11,16H2,1H3
InChIKeyNYMXMCPUIPHKDX-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.87
Rot. Bonds4

About 2-[(benzylamino)methyl]-4-methylaniline

2-[(benzylamino)methyl]-4-methylaniline (PubChem CID 12628937) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(benzylamino)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-[(benzylamino)methyl]-4-methylaniline
PubChem CID12628937
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name2-[(benzylamino)methyl]-4-methylaniline
SMILESCc1ccc(N)c(CNCc2ccccc2)c1
InChIInChI=1S/C15H18N2/c1-12-7-8-15(16)14(9-12)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11,16H2,1H3
InChIKeyNYMXMCPUIPHKDX-UHFFFAOYSA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.87
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

2-[(benzylamino)methyl]-4-chloroaniline
CID 154201648
4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
2-[(dibenzylamino)methyl]-4-methylaniline
CID 130159961
N-[(5-methyl-2-nitrophenyl)methyl]-2-phenylethanamine;4-methyl-2-[(2-phenylethylamino)methyl]aniline
CID 161111304
N-benzyl-1-phenylmethanamine;2,3-dimethylaniline
CID 70576853
4-methyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]aniline
CID 106294036
2-[[2-(3-methylphenyl)ethylamino]methyl]aniline
CID 66418651
ethyl 2-[(2-amino-5-methylphenyl)methylamino]acetate
CID 86217931
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
N-[[2,5-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]phenyl]methyl]-1-(4-methylphenyl)methanamine
CID 54443276
1-(4-bromophenyl)-N-[(2,5-dimethylphenyl)methyl]methanamine
CID 54957738

Frequently Asked Questions

What is the IUPAC name of 2-[(benzylamino)methyl]-4-methylaniline?
The IUPAC name of 2-[(benzylamino)methyl]-4-methylaniline (CID 12628937) is 2-[(benzylamino)methyl]-4-methylaniline.
What is the SMILES notation for 2-[(benzylamino)methyl]-4-methylaniline?
The canonical SMILES for 2-[(benzylamino)methyl]-4-methylaniline is Cc1ccc(N)c(CNCc2ccccc2)c1.
What is the InChIKey of 2-[(benzylamino)methyl]-4-methylaniline?
The InChIKey is NYMXMCPUIPHKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-12-7-8-15(16)14(9-12)11-17-10-13-5-3-2-4-6-13/h2-9,17H,10-11,16H2,1H3.
What are the key properties of 2-[(benzylamino)methyl]-4-methylaniline?
2-[(benzylamino)methyl]-4-methylaniline has a molecular weight of 226.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(benzylamino)methyl]-4-methylaniline is sourced from PubChem (CID 12628937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).