4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride

C14H20Cl3NO — CID 19823772

IUPAC4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride
SMILESCl.NC(CCCO)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C14H19Cl2NO.ClH/c15-11-5-4-10(9-12(11)16)14(6-2-7-14)13(17)3-1-8-18;/h4-5,9,13,18H,1-3,6-8,17H2;1H
InChIKeyKEGRGOKTCTUBLI-UHFFFAOYSA-N
MW324.68 g/mol
LogP3.94
Rot. Bonds5

About 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride

4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride (PubChem CID 19823772) has the molecular formula C14H20Cl3NO and a molecular weight of 324.68 g/mol. Its IUPAC name is 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride
PubChem CID19823772
Molecular FormulaC14H20Cl3NO
Molecular Weight324.68 g/mol
Exact Mass323.06
IUPAC Name4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride
SMILESCl.NC(CCCO)C1(c2ccc(Cl)c(Cl)c2)CCC1
InChIInChI=1S/C14H19Cl2NO.ClH/c15-11-5-4-10(9-12(11)16)14(6-2-7-14)13(17)3-1-8-18;/h4-5,9,13,18H,1-3,6-8,17H2;1H
InChIKeyKEGRGOKTCTUBLI-UHFFFAOYSA-N
XLogP3.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.68
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride?
The IUPAC name of 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride (CID 19823772) is 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride.
What is the SMILES notation for 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride?
The canonical SMILES for 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride is Cl.NC(CCCO)C1(c2ccc(Cl)c(Cl)c2)CCC1.
What is the InChIKey of 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride?
The InChIKey is KEGRGOKTCTUBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO.ClH/c15-11-5-4-10(9-12(11)16)14(6-2-7-14)13(17)3-1-8-18;/h4-5,9,13,18H,1-3,6-8,17H2;1H.
What are the key properties of 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride?
4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride has a molecular weight of 324.68 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-[1-(3,4-dichlorophenyl)cyclobutyl]butan-1-ol;hydrochloride is sourced from PubChem (CID 19823772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).