N-benzyl-1-phenylmethanamine;2,3-dimethylaniline

C22H26N2 — CID 70576853

IUPACN-benzyl-1-phenylmethanamine;2,3-dimethylaniline
SMILESCc1cccc(N)c1C.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C8H11N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-6-4-3-5-8(9)7(6)2/h1-10,15H,11-12H2;3-5H,9H2,1-2H3
InChIKeyARVVGWWDVLVFQF-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.86
Rot. Bonds4

About N-benzyl-1-phenylmethanamine;2,3-dimethylaniline

N-benzyl-1-phenylmethanamine;2,3-dimethylaniline (PubChem CID 70576853) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;2,3-dimethylaniline.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;2,3-dimethylaniline
PubChem CID70576853
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC NameN-benzyl-1-phenylmethanamine;2,3-dimethylaniline
SMILESCc1cccc(N)c1C.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C14H15N.C8H11N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-6-4-3-5-8(9)7(6)2/h1-10,15H,11-12H2;3-5H,9H2,1-2H3
InChIKeyARVVGWWDVLVFQF-UHFFFAOYSA-N
XLogP4.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.86
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

2,3-dimethylaniline;ethane
CID 142025904
2,3-dimethylaniline;N,N-dimethylmethanamine
CID 69304768
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
CID 70442876
2,3-dimethylaniline;formic acid
CID 66886773
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
2,3-dimethylaniline;sulfur dioxide
CID 154998449
2,3-dimethylaniline;sulfur trioxide
CID 174311736
2-[(benzylamino)methyl]-4-methylaniline
CID 12628937
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
benzene;1,2,3-trimethylbenzene
CID 159605245
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N,N'-diphenylmethanediamine;2-methylbenzene-1,3-diamine
CID 88517859

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;2,3-dimethylaniline?
The IUPAC name of N-benzyl-1-phenylmethanamine;2,3-dimethylaniline (CID 70576853) is N-benzyl-1-phenylmethanamine;2,3-dimethylaniline.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;2,3-dimethylaniline?
The canonical SMILES for N-benzyl-1-phenylmethanamine;2,3-dimethylaniline is Cc1cccc(N)c1C.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;2,3-dimethylaniline?
The InChIKey is ARVVGWWDVLVFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C8H11N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;1-6-4-3-5-8(9)7(6)2/h1-10,15H,11-12H2;3-5H,9H2,1-2H3.
What are the key properties of N-benzyl-1-phenylmethanamine;2,3-dimethylaniline?
N-benzyl-1-phenylmethanamine;2,3-dimethylaniline has a molecular weight of 318.46 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;2,3-dimethylaniline is sourced from PubChem (CID 70576853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).