2-anilinohexan-1-ol

C12H19NO — CID 54547466

IUPAC2-anilinohexan-1-ol
SMILESCCCCC(CO)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-2-3-7-12(10-14)13-11-8-5-4-6-9-11/h4-6,8-9,12-14H,2-3,7,10H2,1H3
InChIKeyZHNPLOHUPAFLBO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.65
Rot. Bonds6

About 2-anilinohexan-1-ol

2-anilinohexan-1-ol (PubChem CID 54547466) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-anilinohexan-1-ol.

Molecular Properties

Compound Name2-anilinohexan-1-ol
PubChem CID54547466
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-anilinohexan-1-ol
SMILESCCCCC(CO)Nc1ccccc1
InChIInChI=1S/C12H19NO/c1-2-3-7-12(10-14)13-11-8-5-4-6-9-11/h4-6,8-9,12-14H,2-3,7,10H2,1H3
InChIKeyZHNPLOHUPAFLBO-UHFFFAOYSA-N
XLogP2.65
TPSA32.26 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 ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenyl diethanolamine
CID 8416
N-(2-Hydroxyethyl)aniline
CID 31235
2-(N-ethylanilino)ethanol
CID 62338
2-(N-Methylanilino)ethanol
CID 62340
2-(o-Toluidino)ethanol
CID 8703
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
2-(4-Amino-N-ethylanilino)ethanol
CID 66713
3-(Phenylamino)propan-1-ol
CID 410467
1-Methoxy-3-phenylamino-propan-2-ol
CID 3144953
CID 16192643
CID 16192643
3-(N-Phenylamino)-1,2-propanediol
CID 91551
Ethanol, 2-(4-methylphenyl)amino-
CID 220008

Frequently Asked Questions

What is the IUPAC name of 2-anilinohexan-1-ol?
The IUPAC name of 2-anilinohexan-1-ol (CID 54547466) is 2-anilinohexan-1-ol.
What is the SMILES notation for 2-anilinohexan-1-ol?
The canonical SMILES for 2-anilinohexan-1-ol is CCCCC(CO)Nc1ccccc1.
What is the InChIKey of 2-anilinohexan-1-ol?
The InChIKey is ZHNPLOHUPAFLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-2-3-7-12(10-14)13-11-8-5-4-6-9-11/h4-6,8-9,12-14H,2-3,7,10H2,1H3.
What are the key properties of 2-anilinohexan-1-ol?
2-anilinohexan-1-ol has a molecular weight of 193.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinohexan-1-ol is sourced from PubChem (CID 54547466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).