2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine

C16H26N2O — CID 43829854

IUPAC2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(N1CCCC1)C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O/c1-4-15(18-11-5-6-12-18)16(2,17)13-7-9-14(19-3)10-8-13/h7-10,15H,4-6,11-12,17H2,1-3H3
InChIKeyQQYNEYWGIILSLD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.74
Rot. Bonds5

About 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine

2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine (PubChem CID 43829854) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
PubChem CID43829854
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine
SMILESCCC(N1CCCC1)C(C)(N)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O/c1-4-15(18-11-5-6-12-18)16(2,17)13-7-9-14(19-3)10-8-13/h7-10,15H,4-6,11-12,17H2,1-3H3
InChIKeyQQYNEYWGIILSLD-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43829876
3-(azepan-1-yl)-2-(3-methoxyphenyl)pentan-2-amine
CID 43829999
2-(3-methoxyphenyl)-3-pyrrolidin-1-ylhexan-2-amine
CID 43830019
1-(azepan-1-yl)-2-(4-methoxyphenyl)propan-2-amine
CID 43829903
4-methoxy-2-(4-methoxyphenyl)-3-methylbutan-2-amine
CID 115624966
2-(4-methoxyphenyl)-4-methyl-1-pyrrolidin-1-ylpentan-2-amine
CID 43829937
3-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pentan-3-amine
CID 43829826
2-(4-methoxyphenyl)pentan-2-amine
CID 43810210
1-tert-butyl-4-[(1S)-1-(4-methoxyphenyl)propyl]benzene
CID 137362247
(1R)-1-iodo-1-(4-methoxyphenyl)ethanamine
CID 68562835
ethyl 3-(4-methoxyphenyl)-3-oxo-2-pyrrolidin-1-ylpropanoate
CID 57161588
3-methyl-2-(4-propoxyphenyl)pentan-2-amine
CID 55120756

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
The IUPAC name of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine (CID 43829854) is 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine is CCC(N1CCCC1)C(C)(N)c1ccc(OC)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
The InChIKey is QQYNEYWGIILSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-15(18-11-5-6-12-18)16(2,17)13-7-9-14(19-3)10-8-13/h7-10,15H,4-6,11-12,17H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine?
2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-pyrrolidin-1-ylpentan-2-amine is sourced from PubChem (CID 43829854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).