2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine

C18H23N3 — CID 62559365

IUPAC2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1ccc(C2CCN(CCNCc3cccnc3)C2)cc1
InChIInChI=1S/C18H23N3/c1-2-6-17(7-3-1)18-8-11-21(15-18)12-10-20-14-16-5-4-9-19-13-16/h1-7,9,13,18,20H,8,10-12,14-15H2
InChIKeyGAMWSUPLXMXLTF-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.66
Rot. Bonds6

About 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine

2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 62559365) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID62559365
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESc1ccc(C2CCN(CCNCc3cccnc3)C2)cc1
InChIInChI=1S/C18H23N3/c1-2-6-17(7-3-1)18-8-11-21(15-18)12-10-20-14-16-5-4-9-19-13-16/h1-7,9,13,18,20H,8,10-12,14-15H2
InChIKeyGAMWSUPLXMXLTF-UHFFFAOYSA-N
XLogP2.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-[2-(pyridin-3-ylmethylamino)ethyl]piperidin-4-amine
CID 62559867
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 102968328
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
3,3-dimethyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]butan-1-amine
CID 62559929
2-(1,4-oxazepan-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 62968313
1-[2-(4-phenylpiperidin-1-yl)ethyl]-3-pyridin-3-ylurea
CID 74231138
2-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115615049
1-(4-cyclopropylphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 79978828
4-[4-[2-(pyridin-3-ylmethylamino)ethyl]piperazin-1-yl]aniline
CID 172594310
1-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 95570929
2-methyl-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]propan-2-amine
CID 55069157
N'-methyl-N'-(1-methylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 62575359

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine (CID 62559365) is 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine is c1ccc(C2CCN(CCNCc3cccnc3)C2)cc1.
What is the InChIKey of 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is GAMWSUPLXMXLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-6-17(7-3-1)18-8-11-21(15-18)12-10-20-14-16-5-4-9-19-13-16/h1-7,9,13,18,20H,8,10-12,14-15H2.
What are the key properties of 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine?
2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpyrrolidin-1-yl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 62559365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).