1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine

C17H20ClN3 — CID 83468973

IUPAC1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1ccc(N2CCC(CNCc3ccccn3)C2)cc1
InChIInChI=1S/C17H20ClN3/c18-15-4-6-17(7-5-15)21-10-8-14(13-21)11-19-12-16-3-1-2-9-20-16/h1-7,9,14,19H,8,10-13H2
InChIKeyPSAGIZPCWILSAT-UHFFFAOYSA-N
MW301.82 g/mol
LogP3.35
Rot. Bonds5

About 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine

1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 83468973) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID83468973
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
SMILESClc1ccc(N2CCC(CNCc3ccccn3)C2)cc1
InChIInChI=1S/C17H20ClN3/c18-15-4-6-17(7-5-15)21-10-8-14(13-21)11-19-12-16-3-1-2-9-20-16/h1-7,9,14,19H,8,10-13H2
InChIKeyPSAGIZPCWILSAT-UHFFFAOYSA-N
XLogP3.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpyrrolidin-3-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60857501
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 83468968
1-[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]methanamine
CID 136905429
N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 47445976
1-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968023
N-(pyridin-2-ylmethyl)-1-(thian-4-yl)methanamine
CID 115625870
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105336
1-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192134
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192751
2-chloro-N-[[1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110640667

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine (CID 83468973) is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine is Clc1ccc(N2CCC(CNCc3ccccn3)C2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is PSAGIZPCWILSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c18-15-4-6-17(7-5-15)21-10-8-14(13-21)11-19-12-16-3-1-2-9-20-16/h1-7,9,14,19H,8,10-13H2.
What are the key properties of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine?
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 301.82 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 83468973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).