N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride

C21H23ClN2 — CID 22051255

IUPACN-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
SMILESCl.NCc1ccc(CNC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2.ClH/c22-15-17-11-13-18(14-12-17)16-23-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-14,21,23H,15-16,22H2;1H
InChIKeyDIKUTSPBZKKNDZ-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.45
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride

N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride (PubChem CID 22051255) has the molecular formula C21H23ClN2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
PubChem CID22051255
Molecular FormulaC21H23ClN2
Molecular Weight338.88 g/mol
Exact Mass338.15
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride
SMILESCl.NCc1ccc(CNC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H22N2.ClH/c22-15-17-11-13-18(14-12-17)16-23-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-14,21,23H,15-16,22H2;1H
InChIKeyDIKUTSPBZKKNDZ-UHFFFAOYSA-N
XLogP4.45
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[4-(aminomethyl)phenyl]methylamino]-2-phenylacetic acid
CID 68782379
N'-benzhydrylmethanediamine
CID 142515957
N-[4-[(benzhydrylamino)methyl]phenyl]acetamide
CID 27654523
2-[4-(aminomethyl)phenyl]-2-phenylethanamine
CID 53429078
2-[[(4-fluorophenyl)methylamino]-phenylmethyl]aniline
CID 139982463
(1R)-N-benzyl-1-phenyl-1-pyrimidin-2-ylmethanamine
CID 86338233
1-(3-methylphenyl)-1-phenyl-N-(pyridin-4-ylmethyl)methanamine
CID 144917221
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
CID 174688914
CID 174688914
phenylmethanamine
CID 19864074
N,N'-dibenzhydrylethane-1,2-diamine dichloride
CID 51371244
N-[(4-methylphenyl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224410

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride (CID 22051255) is N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride is Cl.NCc1ccc(CNC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride?
The InChIKey is DIKUTSPBZKKNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2.ClH/c22-15-17-11-13-18(14-12-17)16-23-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-14,21,23H,15-16,22H2;1H.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride?
N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-1,1-diphenylmethanamine;hydrochloride is sourced from PubChem (CID 22051255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).