N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline

C19H24N2 — CID 60943830

IUPACN-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline
SMILESCC(CNc1cccc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C19H24N2/c1-16(17-8-3-2-4-9-17)15-20-18-10-7-11-19(14-18)21-12-5-6-13-21/h2-4,7-11,14,16,20H,5-6,12-13,15H2,1H3
InChIKeyKJOWATAEBWROIZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.50
Rot. Bonds5

About N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline

N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline (PubChem CID 60943830) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline
PubChem CID60943830
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline
SMILESCC(CNc1cccc(N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C19H24N2/c1-16(17-8-3-2-4-9-17)15-20-18-10-7-11-19(14-18)21-12-5-6-13-21/h2-4,7-11,14,16,20H,5-6,12-13,15H2,1H3
InChIKeyKJOWATAEBWROIZ-UHFFFAOYSA-N
XLogP4.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylbutyl)-3-pyrrolidin-1-ylaniline
CID 54864439
N-pentan-3-yl-3-pyrrolidin-1-ylaniline
CID 54864371
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
1-phenyl-2-(4-pyrrolidin-1-ylanilino)ethanol
CID 60720235
methyl 3-(2-phenylpropylamino)benzoate
CID 43321749
2-[1-(3-pyrrolidin-1-ylanilino)ethyl]phenol
CID 60943568
3-(4-methoxyphenyl)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 110618601
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
4-bromo-3-methyl-N-(2-phenylpropyl)aniline
CID 43102221
2-[(3-pyrrolidin-1-ylphenyl)sulfamoyl]propanoic acid
CID 61454882

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline?
The IUPAC name of N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline (CID 60943830) is N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline is CC(CNc1cccc(N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline?
The InChIKey is KJOWATAEBWROIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-16(17-8-3-2-4-9-17)15-20-18-10-7-11-19(14-18)21-12-5-6-13-21/h2-4,7-11,14,16,20H,5-6,12-13,15H2,1H3.
What are the key properties of N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline?
N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline has a molecular weight of 280.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylpropyl)-3-pyrrolidin-1-ylaniline is sourced from PubChem (CID 60943830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).