[4-(1-aminobutyl)phenyl]methanol

C11H17NO — CID 55282733

IUPAC[4-(1-aminobutyl)phenyl]methanol
SMILESCCCC(N)c1ccc(CO)cc1
InChIInChI=1S/C11H17NO/c1-2-3-11(12)10-6-4-9(8-13)5-7-10/h4-7,11,13H,2-3,8,12H2,1H3
InChIKeySGUHGCSAFHPPQL-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.98
Rot. Bonds4

About [4-(1-aminobutyl)phenyl]methanol

[4-(1-aminobutyl)phenyl]methanol (PubChem CID 55282733) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [4-(1-aminobutyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-aminobutyl)phenyl]methanol
PubChem CID55282733
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[4-(1-aminobutyl)phenyl]methanol
SMILESCCCC(N)c1ccc(CO)cc1
InChIInChI=1S/C11H17NO/c1-2-3-11(12)10-6-4-9(8-13)5-7-10/h4-7,11,13H,2-3,8,12H2,1H3
InChIKeySGUHGCSAFHPPQL-UHFFFAOYSA-N
XLogP1.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-propan-2-ylphenyl)butan-1-amine
CID 78960974
(1R)-1-(4-propan-2-ylphenyl)butan-1-amine;hydrochloride
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4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
1-[4-(2-methoxyethyl)phenyl]butan-1-amine
CID 43198365
[5-[(1R)-1-aminobutyl]-2-pyridinyl]methanol
CID 55276847
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225
1-(4-phenylphenyl)butan-1-amine
CID 43197430
4-[(1R)-1-aminobutyl]benzene-1,2-diol
CID 130624764
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
1-(4-ethylphenyl)decan-1-amine
CID 63412475
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminobutyl)phenyl]methanol?
The IUPAC name of [4-(1-aminobutyl)phenyl]methanol (CID 55282733) is [4-(1-aminobutyl)phenyl]methanol.
What is the SMILES notation for [4-(1-aminobutyl)phenyl]methanol?
The canonical SMILES for [4-(1-aminobutyl)phenyl]methanol is CCCC(N)c1ccc(CO)cc1.
What is the InChIKey of [4-(1-aminobutyl)phenyl]methanol?
The InChIKey is SGUHGCSAFHPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-11(12)10-6-4-9(8-13)5-7-10/h4-7,11,13H,2-3,8,12H2,1H3.
What are the key properties of [4-(1-aminobutyl)phenyl]methanol?
[4-(1-aminobutyl)phenyl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminobutyl)phenyl]methanol is sourced from PubChem (CID 55282733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).