4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline

C18H22N2 — CID 43575140

IUPAC4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
SMILESNc1ccc(CCN(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H22N2/c19-17-8-6-15(7-9-17)12-13-20(18-10-11-18)14-16-4-2-1-3-5-16/h1-9,18H,10-14,19H2
InChIKeyNCYWVNFZDZIWQZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.48
Rot. Bonds6

About 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline

4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline (PubChem CID 43575140) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline.

Molecular Properties

Compound Name4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
PubChem CID43575140
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
SMILESNc1ccc(CCN(Cc2ccccc2)C2CC2)cc1
InChIInChI=1S/C18H22N2/c19-17-8-6-15(7-9-17)12-13-20(18-10-11-18)14-16-4-2-1-3-5-16/h1-9,18H,10-14,19H2
InChIKeyNCYWVNFZDZIWQZ-UHFFFAOYSA-N
XLogP3.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.48
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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Related Compounds

N-benzyl-N-(2-phenylethyl)cyclohexanamine
CID 35215800
4-[[cyclopropyl(2-pyridin-2-ylethyl)amino]methyl]aniline
CID 60892235
4-[[cyclopropyl(2-phenylsulfanylethyl)amino]methyl]aniline
CID 79227847
4-N-benzyl-4-N-(3-phenylpropyl)cyclohexane-1,4-diamine
CID 23882631
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
N-benzyl-N-(2-phenylethyl)-1-(2,2,2-trideuterioethyl)piperidin-4-amine
CID 118109140
N-benzyl-1-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 118109308
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
CID 79356213
N-benzyl-N-(2-phenylethyl)piperidin-4-amine;hydroxy(phenyl)sulfanium
CID 144852641
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline?
The IUPAC name of 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline (CID 43575140) is 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline.
What is the SMILES notation for 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline?
The canonical SMILES for 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline is Nc1ccc(CCN(Cc2ccccc2)C2CC2)cc1.
What is the InChIKey of 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline?
The InChIKey is NCYWVNFZDZIWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-17-8-6-15(7-9-17)12-13-20(18-10-11-18)14-16-4-2-1-3-5-16/h1-9,18H,10-14,19H2.
What are the key properties of 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline?
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline is sourced from PubChem (CID 43575140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).