2-(1-aminopentyl)-4-chlorophenol

C11H16ClNO — CID 155888158

IUPAC2-(1-aminopentyl)-4-chlorophenol
SMILESCCCCC(N)c1cc(Cl)ccc1O
InChIInChI=1S/C11H16ClNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h5-7,10,14H,2-4,13H2,1H3
InChIKeyAJYSTBGRQFUTJJ-UHFFFAOYSA-N
MW213.71 g/mol
LogP3.24
Rot. Bonds4

About 2-(1-aminopentyl)-4-chlorophenol

2-(1-aminopentyl)-4-chlorophenol (PubChem CID 155888158) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(1-aminopentyl)-4-chlorophenol.

Molecular Properties

Compound Name2-(1-aminopentyl)-4-chlorophenol
PubChem CID155888158
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(1-aminopentyl)-4-chlorophenol
SMILESCCCCC(N)c1cc(Cl)ccc1O
InChIInChI=1S/C11H16ClNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h5-7,10,14H,2-4,13H2,1H3
InChIKeyAJYSTBGRQFUTJJ-UHFFFAOYSA-N
XLogP3.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 53.24
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

2-[(1S)-1-amino-4-hydroxybutyl]-4-chlorophenol
CID 171217158
4-chloro-2-[(1R)-1,2-diaminoethyl]phenol
CID 66516717
(1R)-1-(5-chloro-2-fluorophenyl)hexan-1-amine
CID 171202085
2-(1-aminobutyl)-5-chlorophenol
CID 55271599
2-[(1S)-1-aminopent-4-enyl]-4-chlorophenol
CID 171217147
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol
CID 171197706
2-[(1R)-1-aminohexyl]-4-methylphenol;hydrochloride
CID 171202311
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol;hydrochloride
CID 171197707
2-[(1S)-1-aminohexyl]-4-fluorophenol
CID 171218475
2-[(1R)-1-aminopentyl]-4-chloro-6-methylphenol;hydrochloride
CID 171214986
2-[(1R)-1-aminohexyl]-4-fluorophenol;hydrochloride
CID 171198955
(1R)-1-(5-chloro-2-nitrophenyl)pentan-1-amine
CID 171206387

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopentyl)-4-chlorophenol?
The IUPAC name of 2-(1-aminopentyl)-4-chlorophenol (CID 155888158) is 2-(1-aminopentyl)-4-chlorophenol.
What is the SMILES notation for 2-(1-aminopentyl)-4-chlorophenol?
The canonical SMILES for 2-(1-aminopentyl)-4-chlorophenol is CCCCC(N)c1cc(Cl)ccc1O.
What is the InChIKey of 2-(1-aminopentyl)-4-chlorophenol?
The InChIKey is AJYSTBGRQFUTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-2-3-4-10(13)9-7-8(12)5-6-11(9)14/h5-7,10,14H,2-4,13H2,1H3.
What are the key properties of 2-(1-aminopentyl)-4-chlorophenol?
2-(1-aminopentyl)-4-chlorophenol has a molecular weight of 213.71 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopentyl)-4-chlorophenol is sourced from PubChem (CID 155888158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).