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

C16H19ClN2O — CID 83468968

IUPAC1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
SMILESClc1ccc(N2CCC(CNCc3ccco3)C2)cc1
InChIInChI=1S/C16H19ClN2O/c17-14-3-5-15(6-4-14)19-8-7-13(12-19)10-18-11-16-2-1-9-20-16/h1-6,9,13,18H,7-8,10-12H2
InChIKeyYUKBUIANALYSID-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.55
Rot. Bonds5

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

1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine (PubChem CID 83468968) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
PubChem CID83468968
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine
SMILESClc1ccc(N2CCC(CNCc3ccco3)C2)cc1
InChIInChI=1S/C16H19ClN2O/c17-14-3-5-15(6-4-14)19-8-7-13(12-19)10-18-11-16-2-1-9-20-16/h1-6,9,13,18H,7-8,10-12H2
InChIKeyYUKBUIANALYSID-UHFFFAOYSA-N
XLogP3.55
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 83468973
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
N-[[(3S)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]propanamide
CID 94799317
N-[[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]methyl]-1-(furan-2-ylmethyl)piperidin-4-amine
CID 171359941
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
N-(furan-2-ylmethyl)-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79604623
1-(furan-2-ylmethyl)-3-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95149324
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105336
1-[1-(benzenesulfonyl)piperidin-4-yl]-N-(furan-2-ylmethyl)methanamine
CID 119123165
1-[[1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111353771

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine?
The IUPAC name of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine (CID 83468968) is 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine?
The canonical SMILES for 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine is Clc1ccc(N2CCC(CNCc3ccco3)C2)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine?
The InChIKey is YUKBUIANALYSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-14-3-5-15(6-4-14)19-8-7-13(12-19)10-18-11-16-2-1-9-20-16/h1-6,9,13,18H,7-8,10-12H2.
What are the key properties of 1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine?
1-[1-(4-chlorophenyl)pyrrolidin-3-yl]-N-(furan-2-ylmethyl)methanamine has a molecular weight of 290.79 g/mol, XLogP of 3.55, 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-(furan-2-ylmethyl)methanamine is sourced from PubChem (CID 83468968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).