2-(1-aminobutyl)-5-chlorophenol

C10H14ClNO — CID 55271599

IUPAC2-(1-aminobutyl)-5-chlorophenol
SMILESCCCC(N)c1ccc(Cl)cc1O
InChIInChI=1S/C10H14ClNO/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,9,13H,2-3,12H2,1H3
InChIKeyIVWUTENCRDYDOK-UHFFFAOYSA-N
MW199.68 g/mol
LogP2.85
Rot. Bonds3

About 2-(1-aminobutyl)-5-chlorophenol

2-(1-aminobutyl)-5-chlorophenol (PubChem CID 55271599) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 2-(1-aminobutyl)-5-chlorophenol.

Molecular Properties

Compound Name2-(1-aminobutyl)-5-chlorophenol
PubChem CID55271599
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name2-(1-aminobutyl)-5-chlorophenol
SMILESCCCC(N)c1ccc(Cl)cc1O
InChIInChI=1S/C10H14ClNO/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,9,13H,2-3,12H2,1H3
InChIKeyIVWUTENCRDYDOK-UHFFFAOYSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
5-chloro-2-(1,2-diaminoethyl)phenol
CID 55273354
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
2-(1-aminopentyl)-4-chlorophenol
CID 155888158
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207522
2-[(1S)-1-aminobutyl]-4,5-difluorophenol
CID 130865865
1-(2,3,4-trichlorophenyl)butan-1-amine
CID 82550973
2-[(1R)-1-aminobutyl]-4,6-dichlorophenol
CID 130677295
6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol
CID 55274846
2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
(3S)-3-amino-3-(4-chloro-2-methylphenyl)propan-1-ol
CID 131144923

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-5-chlorophenol?
The IUPAC name of 2-(1-aminobutyl)-5-chlorophenol (CID 55271599) is 2-(1-aminobutyl)-5-chlorophenol.
What is the SMILES notation for 2-(1-aminobutyl)-5-chlorophenol?
The canonical SMILES for 2-(1-aminobutyl)-5-chlorophenol is CCCC(N)c1ccc(Cl)cc1O.
What is the InChIKey of 2-(1-aminobutyl)-5-chlorophenol?
The InChIKey is IVWUTENCRDYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c1-2-3-9(12)8-5-4-7(11)6-10(8)13/h4-6,9,13H,2-3,12H2,1H3.
What are the key properties of 2-(1-aminobutyl)-5-chlorophenol?
2-(1-aminobutyl)-5-chlorophenol has a molecular weight of 199.68 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-5-chlorophenol is sourced from PubChem (CID 55271599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).