1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol

C17H26ClNO2 — CID 19823785

IUPAC1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
SMILESCOCCC(C)(O)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClNO2/c1-16(20,10-11-21-2)12-15(19)17(8-3-9-17)13-4-6-14(18)7-5-13/h4-7,15,20H,3,8-12,19H2,1-2H3
InChIKeyRCZRHUZQYWQHSL-UHFFFAOYSA-N
MW311.85 g/mol
LogP3.27
Rot. Bonds7

About 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol

1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol (PubChem CID 19823785) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol.

Molecular Properties

Compound Name1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
PubChem CID19823785
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
SMILESCOCCC(C)(O)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClNO2/c1-16(20,10-11-21-2)12-15(19)17(8-3-9-17)13-4-6-14(18)7-5-13/h4-7,15,20H,3,8-12,19H2,1-2H3
InChIKeyRCZRHUZQYWQHSL-UHFFFAOYSA-N
XLogP3.27
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4R)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol;(4S)-4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 161212777
1-amino-5-ethoxy-1-[1-(4-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823769
bis[4-amino-4-[1-(4-chlorophenyl)cyclobutyl]-2-methylbutan-2-yl] (Z)-but-2-enedioate
CID 67945542
1-amino-5-ethoxy-1-[1-(3-fluorophenyl)cyclobutyl]-3-methylpentan-3-ol
CID 19823868
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
(1R,3S)-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylpentan-1-amine
CID 59908351
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
CID 19823714
4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine
CID 113230930
1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-N-methylpentan-1-amine
CID 19823720
acetylene;1-[1-(4-chlorophenyl)cyclobutyl]ethanamine;propane
CID 91613724
1-[1-(4-chlorophenyl)cyclopentyl]ethanamine
CID 83691849
(1S,2S)-1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-2-ol;hydrochloride
CID 139996809

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
The IUPAC name of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol (CID 19823785) is 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol.
What is the SMILES notation for 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
The canonical SMILES for 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol is COCCC(C)(O)CC(N)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
The InChIKey is RCZRHUZQYWQHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-16(20,10-11-21-2)12-15(19)17(8-3-9-17)13-4-6-14(18)7-5-13/h4-7,15,20H,3,8-12,19H2,1-2H3.
What are the key properties of 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol?
1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol has a molecular weight of 311.85 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[1-(4-chlorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol is sourced from PubChem (CID 19823785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).