[4-(4-aminobutan-2-yl)phenyl]methanol

C11H17NO — CID 84767971

IUPAC[4-(4-aminobutan-2-yl)phenyl]methanol
SMILESCC(CCN)c1ccc(CO)cc1
InChIInChI=1S/C11H17NO/c1-9(6-7-12)11-4-2-10(8-13)3-5-11/h2-5,9,13H,6-8,12H2,1H3
InChIKeyMQPICNCYTWLECE-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.63
Rot. Bonds4

About [4-(4-aminobutan-2-yl)phenyl]methanol

[4-(4-aminobutan-2-yl)phenyl]methanol (PubChem CID 84767971) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [4-(4-aminobutan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-aminobutan-2-yl)phenyl]methanol
PubChem CID84767971
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[4-(4-aminobutan-2-yl)phenyl]methanol
SMILESCC(CCN)c1ccc(CO)cc1
InChIInChI=1S/C11H17NO/c1-9(6-7-12)11-4-2-10(8-13)3-5-11/h2-5,9,13H,6-8,12H2,1H3
InChIKeyMQPICNCYTWLECE-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
4-[4-(hydroxymethyl)phenyl]pentanoic acid
CID 172883512
1-[[4-(4-aminobutan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 115113530
3-[4-(difluoromethyl)phenyl]butan-1-amine
CID 117288660
4-[(2R)-4-aminobutan-2-yl]benzamide
CID 70592711
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
CID 117368922
3-(4-pyridin-4-ylphenyl)butan-1-amine
CID 82542949
4-[4-(4-aminobutan-2-yl)phenoxy]aniline
CID 116996697
[4-(1-aminobutyl)phenyl]methanol
CID 55282733
4-(4-butylphenyl)pentan-1-amine
CID 82286120
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632

Frequently Asked Questions

What is the IUPAC name of [4-(4-aminobutan-2-yl)phenyl]methanol?
The IUPAC name of [4-(4-aminobutan-2-yl)phenyl]methanol (CID 84767971) is [4-(4-aminobutan-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-aminobutan-2-yl)phenyl]methanol?
The canonical SMILES for [4-(4-aminobutan-2-yl)phenyl]methanol is CC(CCN)c1ccc(CO)cc1.
What is the InChIKey of [4-(4-aminobutan-2-yl)phenyl]methanol?
The InChIKey is MQPICNCYTWLECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(6-7-12)11-4-2-10(8-13)3-5-11/h2-5,9,13H,6-8,12H2,1H3.
What are the key properties of [4-(4-aminobutan-2-yl)phenyl]methanol?
[4-(4-aminobutan-2-yl)phenyl]methanol has a molecular weight of 179.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminobutan-2-yl)phenyl]methanol is sourced from PubChem (CID 84767971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).