3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol

C16H26N2O — CID 115644780

IUPAC3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccccc1N1CCCC1
InChIInChI=1S/C16H26N2O/c1-2-15(9-12-19)17-13-14-7-3-4-8-16(14)18-10-5-6-11-18/h3-4,7-8,15,17,19H,2,5-6,9-13H2,1H3
InChIKeyOOSQHYSSLOXYCS-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.54
Rot. Bonds7

About 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol

3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol (PubChem CID 115644780) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol
PubChem CID115644780
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1ccccc1N1CCCC1
InChIInChI=1S/C16H26N2O/c1-2-15(9-12-19)17-13-14-7-3-4-8-16(14)18-10-5-6-11-18/h3-4,7-8,15,17,19H,2,5-6,9-13H2,1H3
InChIKeyOOSQHYSSLOXYCS-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-pyrrolidin-1-ylphenyl)methyl]hexan-3-amine
CID 62117804
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
N-[(2-pyrrolidin-1-ylphenyl)methyl]heptan-2-amine
CID 43220661
2-[2-[(1-hydroxypentan-3-ylamino)methyl]phenyl]acetic acid
CID 113495710
3-[(2,3-dichlorophenyl)methylamino]pentan-1-ol
CID 115644707
(1S)-1-pyridin-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 78979013
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
1-pyrazol-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43435063
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3S)-1-hydroxypentan-3-yl]urea
CID 95635525
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-[(3R)-1-hydroxypentan-3-yl]urea
CID 95635526

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol?
The IUPAC name of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol (CID 115644780) is 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol.
What is the SMILES notation for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol?
The canonical SMILES for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol is CCC(CCO)NCc1ccccc1N1CCCC1.
What is the InChIKey of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol?
The InChIKey is OOSQHYSSLOXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-15(9-12-19)17-13-14-7-3-4-8-16(14)18-10-5-6-11-18/h3-4,7-8,15,17,19H,2,5-6,9-13H2,1H3.
What are the key properties of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol?
3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]pentan-1-ol is sourced from PubChem (CID 115644780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).