3-amino-1-(3-butylphenyl)propan-1-ol

C13H21NO — CID 71229266

IUPAC3-amino-1-(3-butylphenyl)propan-1-ol
SMILESCCCCc1cccc(C(O)CCN)c1
InChIInChI=1S/C13H21NO/c1-2-3-5-11-6-4-7-12(10-11)13(15)8-9-14/h4,6-7,10,13,15H,2-3,5,8-9,14H2,1H3
InChIKeyXGLNYMDCJMXLBO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.41
Rot. Bonds6

About 3-amino-1-(3-butylphenyl)propan-1-ol

3-amino-1-(3-butylphenyl)propan-1-ol (PubChem CID 71229266) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-amino-1-(3-butylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-butylphenyl)propan-1-ol
PubChem CID71229266
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-amino-1-(3-butylphenyl)propan-1-ol
SMILESCCCCc1cccc(C(O)CCN)c1
InChIInChI=1S/C13H21NO/c1-2-3-5-11-6-4-7-12(10-11)13(15)8-9-14/h4,6-7,10,13,15H,2-3,5,8-9,14H2,1H3
InChIKeyXGLNYMDCJMXLBO-UHFFFAOYSA-N
XLogP2.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158563510
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CID 42610605
3-(3-hexylphenyl)butan-1-amine
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3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
4-[3-(3-amino-1-hydroxypropyl)phenyl]-2,2-diethylbutanal
CID 123641994
3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol
CID 143800223
1-(3-butylphenyl)-2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)ethanol
CID 162348115
2-fluoro-N-[3-(3-hexylphenyl)-3-hydroxypropyl]acetamide
CID 174633476
1-[3-(2-methylpropyl)phenyl]nonan-1-ol
CID 115838202
1-butyl-3-(1-phenylethyl)benzene
CID 141315490
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-butylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-butylphenyl)propan-1-ol (CID 71229266) is 3-amino-1-(3-butylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-butylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-butylphenyl)propan-1-ol is CCCCc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-(3-butylphenyl)propan-1-ol?
The InChIKey is XGLNYMDCJMXLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-3-5-11-6-4-7-12(10-11)13(15)8-9-14/h4,6-7,10,13,15H,2-3,5,8-9,14H2,1H3.
What are the key properties of 3-amino-1-(3-butylphenyl)propan-1-ol?
3-amino-1-(3-butylphenyl)propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-butylphenyl)propan-1-ol is sourced from PubChem (CID 71229266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).