5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol

C15H22ClNO — CID 19823838

IUPAC5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol
SMILESNC(CCCCO)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClNO/c16-13-7-5-12(6-8-13)15(9-3-10-15)14(17)4-1-2-11-18/h5-8,14,18H,1-4,9-11,17H2
InChIKeyMIKPBIRZTAOKHS-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.25
Rot. Bonds6

About 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol

5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol (PubChem CID 19823838) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol.

Molecular Properties

Compound Name5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol
PubChem CID19823838
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol
SMILESNC(CCCCO)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C15H22ClNO/c16-13-7-5-12(6-8-13)15(9-3-10-15)14(17)4-1-2-11-18/h5-8,14,18H,1-4,9-11,17H2
InChIKeyMIKPBIRZTAOKHS-UHFFFAOYSA-N
XLogP3.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 548289
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DS-7250
CID 18464794
2-Amino-2-(4-chlorophenyl)ethan-1-ol
CID 14853195
3-Amino-3-(4-chlorophenyl)propan-1-ol
CID 17039435
3-Amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-Amino-3-(4-chlorophenyl)-2-methylpropan-1-ol
CID 3048993
(3S)-3-amino-3-(4-chlorophenyl)propan-1-ol hydrochloride
CID 46738188
3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 62387669
(R)-2-Amino-2-(4-chlorophenyl)ethanol hydrochloride
CID 67033243
2-Amino-2-(4-chlorophenyl)ethan-1-ol hydrochloride
CID 67033245
(S)-2-amino-2-(4-chlorophenyl)ethanol hydrochloride
CID 68729838

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol?
The IUPAC name of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol (CID 19823838) is 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol.
What is the SMILES notation for 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol?
The canonical SMILES for 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol is NC(CCCCO)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol?
The InChIKey is MIKPBIRZTAOKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-13-7-5-12(6-8-13)15(9-3-10-15)14(17)4-1-2-11-18/h5-8,14,18H,1-4,9-11,17H2.
What are the key properties of 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol?
5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-[1-(4-chlorophenyl)cyclobutyl]pentan-1-ol is sourced from PubChem (CID 19823838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).