N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene

C29H31N — CID 70442876

IUPACN-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccccc1C.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H16.C14H15N/c1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h3-10H,11H2,1-2H3;1-10,15H,11-12H2
InChIKeyPRRRCHVCIYZMIJ-UHFFFAOYSA-N
MW393.57 g/mol
LogP6.87
Rot. Bonds6

About N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene

N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene (PubChem CID 70442876) has the molecular formula C29H31N and a molecular weight of 393.57 g/mol. Its IUPAC name is N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene.

Molecular Properties

Compound NameN-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
PubChem CID70442876
Molecular FormulaC29H31N
Molecular Weight393.57 g/mol
Exact Mass393.25
IUPAC NameN-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene
SMILESCc1ccccc1Cc1ccccc1C.c1ccc(CNCc2ccccc2)cc1
InChIInChI=1S/C15H16.C14H15N/c1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h3-10H,11H2,1-2H3;1-10,15H,11-12H2
InChIKeyPRRRCHVCIYZMIJ-UHFFFAOYSA-N
XLogP6.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
1-(4-methylphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 4724057
N-benzyl-3-(2-methylphenyl)propan-1-amine
CID 62047692
4-[[(2-methylphenyl)methylamino]methyl]phenol
CID 39247073
1-(4-chlorophenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 8898296
2-[4-[[(2-methylphenyl)methylamino]methyl]phenyl]acetic acid
CID 103239796
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
4-[[(2-methylphenyl)methylamino]methyl]benzoic acid
CID 3471032
4-[[(2-methylphenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 6459710
N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzyl-1-phenylmethanamine;2,3-dimethylaniline
CID 70576853
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
CID 24837605

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene?
The IUPAC name of N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene (CID 70442876) is N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene.
What is the SMILES notation for N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene?
The canonical SMILES for N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene is Cc1ccccc1Cc1ccccc1C.c1ccc(CNCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene?
The InChIKey is PRRRCHVCIYZMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.C14H15N/c1-12-7-3-5-9-14(12)11-15-10-6-4-8-13(15)2;1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h3-10H,11H2,1-2H3;1-10,15H,11-12H2.
What are the key properties of N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene?
N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene has a molecular weight of 393.57 g/mol, XLogP of 6.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenylmethanamine;1-methyl-2-[(2-methylphenyl)methyl]benzene is sourced from PubChem (CID 70442876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).