N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine

C17H21N3 — CID 82538556

IUPACN-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
SMILESc1ccc(C(CNc2ccncc2)N2CCCC2)cc1
InChIInChI=1S/C17H21N3/c1-2-6-15(7-3-1)17(20-12-4-5-13-20)14-19-16-8-10-18-11-9-16/h1-3,6-11,17H,4-5,12-14H2,(H,18,19)
InChIKeyYSMBDAGZUJPAEW-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.33
Rot. Bonds5

About N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine

N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine (PubChem CID 82538556) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
PubChem CID82538556
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine
SMILESc1ccc(C(CNc2ccncc2)N2CCCC2)cc1
InChIInChI=1S/C17H21N3/c1-2-6-15(7-3-1)17(20-12-4-5-13-20)14-19-16-8-10-18-11-9-16/h1-3,6-11,17H,4-5,12-14H2,(H,18,19)
InChIKeyYSMBDAGZUJPAEW-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)aniline
CID 110452328
N-(2-phenyl-2-pyrrolidin-1-ylethyl)quinolin-8-amine
CID 110452326
N-ethyl-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 43180882
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1-phenylpyrazol-4-amine
CID 110452430
(2S)-2-piperidin-1-yl-2-pyridin-4-ylethanamine
CID 39254713
1-(3,3-dimethyl-1-phenylbutyl)pyrrolidine
CID 58442316
1-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-pyridin-3-ylurea
CID 18101910
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
3,3-dimethyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butan-1-amine
CID 60694080
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-[2-(azepan-1-yl)-2-phenylethyl]-3-pyridin-3-ylurea
CID 118775624

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine?
The IUPAC name of N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine (CID 82538556) is N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine.
What is the SMILES notation for N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine?
The canonical SMILES for N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine is c1ccc(C(CNc2ccncc2)N2CCCC2)cc1.
What is the InChIKey of N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine?
The InChIKey is YSMBDAGZUJPAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-6-15(7-3-1)17(20-12-4-5-13-20)14-19-16-8-10-18-11-9-16/h1-3,6-11,17H,4-5,12-14H2,(H,18,19).
What are the key properties of N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine?
N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-2-pyrrolidin-1-ylethyl)pyridin-4-amine is sourced from PubChem (CID 82538556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).