1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol

C17H26ClNO — CID 19823762

IUPAC1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol
SMILESCCCC(C)(O)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClNO/c1-3-9-16(2,20)12-15(19)17(10-4-11-17)13-5-7-14(18)8-6-13/h5-8,15,20H,3-4,9-12,19H2,1-2H3
InChIKeyZCCUVSWTHZYHAE-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.03
Rot. Bonds6

About 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol

1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol (PubChem CID 19823762) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol.

Molecular Properties

Compound Name1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol
PubChem CID19823762
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol
SMILESCCCC(C)(O)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClNO/c1-3-9-16(2,20)12-15(19)17(10-4-11-17)13-5-7-14(18)8-6-13/h5-8,15,20H,3-4,9-12,19H2,1-2H3
InChIKeyZCCUVSWTHZYHAE-UHFFFAOYSA-N
XLogP4.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029511
delta-Amino-1-(4-chlorophenyl)-beta-methylcyclobutanebutanol
CID 10492080
4-Amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823671
1-Amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823685
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,1-trifluoro-2-methylbutan-2-ol
CID 19823766
4-Amino-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823796
1-Amino-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823805
1-Amino-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823854
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,3-trifluoro-2-methylbutan-2-ol
CID 70467769
3-Amino-3-(4-chloro-2-fluorophenyl)-1-methylcyclobutan-1-ol
CID 121438959
1-(4-Chlorophenyl)-2,3-dimethyl-4-(methylamino)butan-2-ol
CID 14852886
1-(4-Chlorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103032129

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol?
The IUPAC name of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol (CID 19823762) is 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol.
What is the SMILES notation for 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol?
The canonical SMILES for 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol is CCCC(C)(O)CC(N)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol?
The InChIKey is ZCCUVSWTHZYHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-9-16(2,20)12-15(19)17(10-4-11-17)13-5-7-14(18)8-6-13/h5-8,15,20H,3-4,9-12,19H2,1-2H3.
What are the key properties of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol?
1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol has a molecular weight of 295.85 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylhexan-3-ol is sourced from PubChem (CID 19823762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).