[3-[(dibenzylamino)methyl]phenyl]methanamine

C22H24N2 — CID 39147916

IUPAC[3-[(dibenzylamino)methyl]phenyl]methanamine
SMILESNCc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H24N2/c23-15-21-12-7-13-22(14-21)18-24(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14H,15-18,23H2
InChIKeyUVHPZPOLYPDLON-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.35
Rot. Bonds7

About [3-[(dibenzylamino)methyl]phenyl]methanamine

[3-[(dibenzylamino)methyl]phenyl]methanamine (PubChem CID 39147916) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is [3-[(dibenzylamino)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(dibenzylamino)methyl]phenyl]methanamine
PubChem CID39147916
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name[3-[(dibenzylamino)methyl]phenyl]methanamine
SMILESNCc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1
InChIInChI=1S/C22H24N2/c23-15-21-12-7-13-22(14-21)18-24(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14H,15-18,23H2
InChIKeyUVHPZPOLYPDLON-UHFFFAOYSA-N
XLogP4.35
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[[(4-methylphenyl)methyl-[(4-phenoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934561
[4-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934357
[3-(bromomethyl)phenyl]methanamine
CID 67540206
N-benzyl-N-[[3-[(dibenzylamino)methyl]phenyl]methyl]-2-phenylethanamine
CID 163873740
[3-(aminomethyl)phenyl]methanamine;azane
CID 175725248
phenylmethanamine
CID 19864074
[3-[[(4-bromophenyl)methyl-[(4-tert-butylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934501
[4-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]phenyl]methanamine
CID 142934531
[3-(aminomethyl)phenyl]methanamine;ethane;molecular hydrogen
CID 145400663
ethane;phenylmethanamine;vanadium
CID 158602574
phenylmethanamine;titanium(2+)
CID 21287655
phenylmethanamine;dodecahydrobromide
CID 175510511

Frequently Asked Questions

What is the IUPAC name of [3-[(dibenzylamino)methyl]phenyl]methanamine?
The IUPAC name of [3-[(dibenzylamino)methyl]phenyl]methanamine (CID 39147916) is [3-[(dibenzylamino)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(dibenzylamino)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(dibenzylamino)methyl]phenyl]methanamine is NCc1cccc(CN(Cc2ccccc2)Cc2ccccc2)c1.
What is the InChIKey of [3-[(dibenzylamino)methyl]phenyl]methanamine?
The InChIKey is UVHPZPOLYPDLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c23-15-21-12-7-13-22(14-21)18-24(16-19-8-3-1-4-9-19)17-20-10-5-2-6-11-20/h1-14H,15-18,23H2.
What are the key properties of [3-[(dibenzylamino)methyl]phenyl]methanamine?
[3-[(dibenzylamino)methyl]phenyl]methanamine has a molecular weight of 316.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dibenzylamino)methyl]phenyl]methanamine is sourced from PubChem (CID 39147916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).