1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol

C13H20N2O — CID 112678103

IUPAC1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
SMILESCCC(N)c1ccccc1N1CCC(O)C1
InChIInChI=1S/C13H20N2O/c1-2-12(14)11-5-3-4-6-13(11)15-8-7-10(16)9-15/h3-6,10,12,16H,2,7-9,14H2,1H3
InChIKeyHJBNDFRKDPMFOR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.67
Rot. Bonds3

About 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol

1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol (PubChem CID 112678103) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
PubChem CID112678103
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
SMILESCCC(N)c1ccccc1N1CCC(O)C1
InChIInChI=1S/C13H20N2O/c1-2-12(14)11-5-3-4-6-13(11)15-8-7-10(16)9-15/h3-6,10,12,16H,2,7-9,14H2,1H3
InChIKeyHJBNDFRKDPMFOR-UHFFFAOYSA-N
XLogP1.67
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-1-amine
CID 112678164
(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103958938
(4S)-4-amino-4-[2-(4-hydroxypiperidin-1-yl)phenyl]butanoic acid
CID 67452418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol (CID 112678103) is 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol is CCC(N)c1ccccc1N1CCC(O)C1.
What is the InChIKey of 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol?
The InChIKey is HJBNDFRKDPMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-12(14)11-5-3-4-6-13(11)15-8-7-10(16)9-15/h3-6,10,12,16H,2,7-9,14H2,1H3.
What are the key properties of 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol?
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol has a molecular weight of 220.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol is sourced from PubChem (CID 112678103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).