N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline

C21H29N3 — CID 59861095

IUPACN-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCN1CCCCC1CCc1ccccc1NCc1ccccc1N
InChIInChI=1S/C21H29N3/c1-24-15-7-6-10-19(24)14-13-17-8-3-5-12-21(17)23-16-18-9-2-4-11-20(18)22/h2-5,8-9,11-12,19,23H,6-7,10,13-16,22H2,1H3
InChIKeyYRROPDOXXHRZBL-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.30
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline

N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline (PubChem CID 59861095) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
PubChem CID59861095
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC NameN-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline
SMILESCN1CCCCC1CCc1ccccc1NCc1ccccc1N
InChIInChI=1S/C21H29N3/c1-24-15-7-6-10-19(24)14-13-17-8-3-5-12-21(17)23-16-18-9-2-4-11-20(18)22/h2-5,8-9,11-12,19,23H,6-7,10,13-16,22H2,1H3
InChIKeyYRROPDOXXHRZBL-UHFFFAOYSA-N
XLogP4.30
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]-3-phenylthiourea
CID 13193105
4-chloro-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
CID 20560119
2-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]phenol
CID 153351940
2-[2-(1-butylpiperidin-2-yl)ethyl]aniline
CID 20560089
2-(hydroxyamino)-6-[2-(1-methylpiperidin-2-yl)ethyl]benzenecarboximidamide
CID 154935470
2-[2-(1-methylpiperidin-2-yl)ethyl]-4-propan-2-yloxyaniline
CID 20560104
2-(diethylaminomethyl)-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62658648
[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl] N,N-dimethylcarbamate
CID 11011729
2-[(2-cyclopentylsulfanylanilino)methyl]aniline
CID 66419014
N-[(2-aminophenyl)methyl]-2-pyrrolidin-1-ylpyridin-3-amine
CID 66384847
2-[2-[(2R,5S)-5-ethyl-1-methylpiperidin-2-yl]ethyl]aniline
CID 129394305
N-[[2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 107911038

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The IUPAC name of N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline (CID 59861095) is N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The canonical SMILES for N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline is CN1CCCCC1CCc1ccccc1NCc1ccccc1N.
What is the InChIKey of N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
The InChIKey is YRROPDOXXHRZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3/c1-24-15-7-6-10-19(24)14-13-17-8-3-5-12-21(17)23-16-18-9-2-4-11-20(18)22/h2-5,8-9,11-12,19,23H,6-7,10,13-16,22H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline?
N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline has a molecular weight of 323.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-2-[2-(1-methylpiperidin-2-yl)ethyl]aniline is sourced from PubChem (CID 59861095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).