4-[[benzyl(propyl)amino]methyl]aniline

C17H22N2 — CID 23507200

IUPAC4-[[benzyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1)Cc1ccc(N)cc1
InChIInChI=1S/C17H22N2/c1-2-12-19(13-15-6-4-3-5-7-15)14-16-8-10-17(18)11-9-16/h3-11H,2,12-14,18H2,1H3
InChIKeyKUVPIBUYOKRJFX-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.68
Rot. Bonds6

About 4-[[benzyl(propyl)amino]methyl]aniline

4-[[benzyl(propyl)amino]methyl]aniline (PubChem CID 23507200) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[[benzyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[benzyl(propyl)amino]methyl]aniline
PubChem CID23507200
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[[benzyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1)Cc1ccc(N)cc1
InChIInChI=1S/C17H22N2/c1-2-12-19(13-15-6-4-3-5-7-15)14-16-8-10-17(18)11-9-16/h3-11H,2,12-14,18H2,1H3
InChIKeyKUVPIBUYOKRJFX-UHFFFAOYSA-N
XLogP3.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[benzyl(propyl)amino]methyl]aniline?
The IUPAC name of 4-[[benzyl(propyl)amino]methyl]aniline (CID 23507200) is 4-[[benzyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[benzyl(propyl)amino]methyl]aniline?
The canonical SMILES for 4-[[benzyl(propyl)amino]methyl]aniline is CCCN(Cc1ccccc1)Cc1ccc(N)cc1.
What is the InChIKey of 4-[[benzyl(propyl)amino]methyl]aniline?
The InChIKey is KUVPIBUYOKRJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-12-19(13-15-6-4-3-5-7-15)14-16-8-10-17(18)11-9-16/h3-11H,2,12-14,18H2,1H3.
What are the key properties of 4-[[benzyl(propyl)amino]methyl]aniline?
4-[[benzyl(propyl)amino]methyl]aniline has a molecular weight of 254.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[benzyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 23507200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).