3-[3-(3-aminopropyl)phenyl]propan-1-ol

C12H19NO — CID 42610454

IUPAC3-[3-(3-aminopropyl)phenyl]propan-1-ol
SMILESNCCCc1cccc(CCCO)c1
InChIInChI=1S/C12H19NO/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1,4-5,10,14H,2-3,6-9,13H2
InChIKeyJKGGDZXYEYYZTO-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.50
Rot. Bonds6

About 3-[3-(3-aminopropyl)phenyl]propan-1-ol

3-[3-(3-aminopropyl)phenyl]propan-1-ol (PubChem CID 42610454) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 3-[3-(3-aminopropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-aminopropyl)phenyl]propan-1-ol
PubChem CID42610454
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name3-[3-(3-aminopropyl)phenyl]propan-1-ol
SMILESNCCCc1cccc(CCCO)c1
InChIInChI=1S/C12H19NO/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1,4-5,10,14H,2-3,6-9,13H2
InChIKeyJKGGDZXYEYYZTO-UHFFFAOYSA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-aminophenyl)propan-1-ol
CID 10103334
3-[3-(bromomethyl)phenyl]propan-1-ol
CID 139754880
2-[3-(2-aminoethyl)phenyl]ethanol
CID 2749894
4-[3-(3-aminopropyl)phenyl]butan-2-ol
CID 71016170
3-(3-methylphenyl)propan-1-amine
CID 12666388
3-[3-(methoxymethyl)phenyl]propan-1-ol
CID 117278462
3-(3-phenylphenyl)propan-1-amine
CID 68886504
benzene;3-phenylpropan-1-amine
CID 174865683
5-[3-(3-aminopropyl)phenyl]-N,N-dimethylpentan-1-amine
CID 172845275
2-[3-(5-phenylpentyl)phenyl]ethanol
CID 19755656
3-(4-hydroxybutyl)phenol
CID 19991537
3-[3-(pyrrolidin-1-ylmethyl)phenyl]propan-1-amine
CID 117311503

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopropyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(3-aminopropyl)phenyl]propan-1-ol (CID 42610454) is 3-[3-(3-aminopropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-aminopropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(3-aminopropyl)phenyl]propan-1-ol is NCCCc1cccc(CCCO)c1.
What is the InChIKey of 3-[3-(3-aminopropyl)phenyl]propan-1-ol?
The InChIKey is JKGGDZXYEYYZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1,4-5,10,14H,2-3,6-9,13H2.
What are the key properties of 3-[3-(3-aminopropyl)phenyl]propan-1-ol?
3-[3-(3-aminopropyl)phenyl]propan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopropyl)phenyl]propan-1-ol is sourced from PubChem (CID 42610454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).