(1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine

C16H26N2O — CID 70264085

IUPAC(1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine
SMILESCCCC[C@H](N)N1CCC(c2ccccc2OC)C1
InChIInChI=1S/C16H26N2O/c1-3-4-9-16(17)18-11-10-13(12-18)14-7-5-6-8-15(14)19-2/h5-8,13,16H,3-4,9-12,17H2,1-2H3/t13?,16-/m1/s1
InChIKeyWSIJKBRTOGAXHM-FQNRMIAFSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds6

About (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine

(1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine (PubChem CID 70264085) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine
PubChem CID70264085
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine
SMILESCCCC[C@H](N)N1CCC(c2ccccc2OC)C1
InChIInChI=1S/C16H26N2O/c1-3-4-9-16(17)18-11-10-13(12-18)14-7-5-6-8-15(14)19-2/h5-8,13,16H,3-4,9-12,17H2,1-2H3/t13?,16-/m1/s1
InChIKeyWSIJKBRTOGAXHM-FQNRMIAFSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methoxyphenyl)pyrrolidin-1-yl]ethanamine
CID 23287971
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
1-[1-[1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 103975586
4-[3-(2-methoxyphenyl)pyrrolidin-1-yl]butanoic acid
CID 119137597
(2S)-2-amino-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-4-methylsulfanylbutan-1-one;hydrochloride
CID 84588633
1-cyclopropyl-2-methoxybenzene;ethane
CID 144769798
4-(2-methoxyphenyl)-1-propan-2-ylpiperidin-3-amine
CID 83546673
1-[1-[1-(2-methoxyphenyl)propan-2-yl]pyrrolidin-3-yl]ethanamine
CID 103975668
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 97099034
2-[[3-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyrrole
CID 75482891

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine?
The IUPAC name of (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine (CID 70264085) is (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine.
What is the SMILES notation for (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine?
The canonical SMILES for (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine is CCCC[C@H](N)N1CCC(c2ccccc2OC)C1.
What is the InChIKey of (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine?
The InChIKey is WSIJKBRTOGAXHM-FQNRMIAFSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-9-16(17)18-11-10-13(12-18)14-7-5-6-8-15(14)19-2/h5-8,13,16H,3-4,9-12,17H2,1-2H3/t13?,16-/m1/s1.
What are the key properties of (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine?
(1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-amine is sourced from PubChem (CID 70264085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).