N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride

C29H32Cl2N2 — CID 24837605

IUPACN-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
SMILESCl.Cl.c1ccc(CNCc2ccc(Cc3ccc(CNCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H30N2.2ClH/c1-3-7-26(8-4-1)20-30-22-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)23-31-21-27-9-5-2-6-10-27;;/h1-18,30-31H,19-23H2;2*1H
InChIKeyHMIHZYCINMIYNA-UHFFFAOYSA-N
MW479.50 g/mol
LogP6.70
Rot. Bonds10

About N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride

N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride (PubChem CID 24837605) has the molecular formula C29H32Cl2N2 and a molecular weight of 479.50 g/mol. Its IUPAC name is N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
PubChem CID24837605
Molecular FormulaC29H32Cl2N2
Molecular Weight479.50 g/mol
Exact Mass478.19
IUPAC NameN-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride
SMILESCl.Cl.c1ccc(CNCc2ccc(Cc3ccc(CNCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C29H30N2.2ClH/c1-3-7-26(8-4-1)20-30-22-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)23-31-21-27-9-5-2-6-10-27;;/h1-18,30-31H,19-23H2;2*1H
InChIKeyHMIHZYCINMIYNA-UHFFFAOYSA-N
XLogP6.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.50
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-phenylmethanamine;λ2-stannane;hydrochloride
CID 174862297
N-benzyl-1-phenylmethanamine;hydrate
CID 173452781
phenyl(113C)methylbenzene
CID 11194569
N-benzyl-1-phenylmethanamine;dichlorotitanium
CID 174633271
N-[(4-ethenylphenyl)methyl]-1-phenylmethanamine;hydrochloride
CID 173138199
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
N-[(4-diphenylphosphanylphenyl)methyl]-1-phenylmethanamine
CID 24878642
N-methyl-1-phenylmethanamine;hydrate;hydrochloride
CID 174315758
1-benzyl-4-[2-(4-benzylphenyl)ethyl]benzene
CID 23565947
1,4-bis(4-benzylphenyl)benzene
CID 58251041
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride?
The IUPAC name of N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride (CID 24837605) is N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride.
What is the SMILES notation for N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride?
The canonical SMILES for N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride is Cl.Cl.c1ccc(CNCc2ccc(Cc3ccc(CNCc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride?
The InChIKey is HMIHZYCINMIYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2.2ClH/c1-3-7-26(8-4-1)20-30-22-28-15-11-24(12-16-28)19-25-13-17-29(18-14-25)23-31-21-27-9-5-2-6-10-27;;/h1-18,30-31H,19-23H2;2*1H.
What are the key properties of N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride?
N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride has a molecular weight of 479.50 g/mol, XLogP of 6.70, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-[(benzylamino)methyl]phenyl]methyl]phenyl]methyl]-1-phenylmethanamine;dihydrochloride is sourced from PubChem (CID 24837605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).