[4-[[benzyl(methyl)amino]methyl]phenyl]methanamine

C16H20N2 — CID 23301889

IUPAC[4-[[benzyl(methyl)amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccccc1)Cc1ccc(CN)cc1
InChIInChI=1S/C16H20N2/c1-18(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17)8-10-16/h2-10H,11-13,17H2,1H3
InChIKeyHCUXXSLOSBBPTK-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.78
Rot. Bonds5

About [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine

[4-[[benzyl(methyl)amino]methyl]phenyl]methanamine (PubChem CID 23301889) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[benzyl(methyl)amino]methyl]phenyl]methanamine
PubChem CID23301889
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name[4-[[benzyl(methyl)amino]methyl]phenyl]methanamine
SMILESCN(Cc1ccccc1)Cc1ccc(CN)cc1
InChIInChI=1S/C16H20N2/c1-18(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17)8-10-16/h2-10H,11-13,17H2,1H3
InChIKeyHCUXXSLOSBBPTK-UHFFFAOYSA-N
XLogP2.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine?
The IUPAC name of [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine (CID 23301889) is [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine is CN(Cc1ccccc1)Cc1ccc(CN)cc1.
What is the InChIKey of [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine?
The InChIKey is HCUXXSLOSBBPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-18(12-15-5-3-2-4-6-15)13-16-9-7-14(11-17)8-10-16/h2-10H,11-13,17H2,1H3.
What are the key properties of [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine?
[4-[[benzyl(methyl)amino]methyl]phenyl]methanamine has a molecular weight of 240.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[benzyl(methyl)amino]methyl]phenyl]methanamine is sourced from PubChem (CID 23301889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).