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

C13H19NO — CID 114601621

IUPAC3-amino-1-(3-cyclobutylphenyl)propan-1-ol
SMILESNCCC(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H19NO/c14-8-7-13(15)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-6,9-10,13,15H,1,3-4,7-8,14H2
InChIKeyYHUQSDRETMELQN-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.34
Rot. Bonds4

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

3-amino-1-(3-cyclobutylphenyl)propan-1-ol (PubChem CID 114601621) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-amino-1-(3-cyclobutylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-cyclobutylphenyl)propan-1-ol
PubChem CID114601621
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name3-amino-1-(3-cyclobutylphenyl)propan-1-ol
SMILESNCCC(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C13H19NO/c14-8-7-13(15)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-6,9-10,13,15H,1,3-4,7-8,14H2
InChIKeyYHUQSDRETMELQN-UHFFFAOYSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutylphenyl)pentan-1-ol
CID 114601319
1-(3-cyclobutylphenyl)-2-methylsulfanylethanol
CID 114602219
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
1-(3-cyclohexylphenyl)propan-1-ol
CID 178189134
1-(3-cyclobutylphenyl)-2-methylsulfonylethanol
CID 115839105
1-(3-cyclopropylphenyl)octan-1-ol
CID 79981026
1-(3-cyclopropylphenyl)decan-1-ol
CID 79980400
1-(3-cyclopropylphenyl)heptan-1-ol
CID 79980321
1-(3-cyclopropylphenyl)undecan-1-ol
CID 79973186
1-(3-cyclopropylphenyl)-4-phenylbutan-1-ol
CID 79980245
1-(3-cyclobutylphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 114602227
1-(3-cyclobutylphenyl)-2-(2-methylphenyl)ethanol
CID 114602192

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-cyclobutylphenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-cyclobutylphenyl)propan-1-ol (CID 114601621) is 3-amino-1-(3-cyclobutylphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-cyclobutylphenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-cyclobutylphenyl)propan-1-ol is NCCC(O)c1cccc(C2CCC2)c1.
What is the InChIKey of 3-amino-1-(3-cyclobutylphenyl)propan-1-ol?
The InChIKey is YHUQSDRETMELQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c14-8-7-13(15)12-6-2-5-11(9-12)10-3-1-4-10/h2,5-6,9-10,13,15H,1,3-4,7-8,14H2.
What are the key properties of 3-amino-1-(3-cyclobutylphenyl)propan-1-ol?
3-amino-1-(3-cyclobutylphenyl)propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-cyclobutylphenyl)propan-1-ol is sourced from PubChem (CID 114601621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).