(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol

C15H22ClNO — CID 79253874

IUPAC(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNO/c1-10(2)15(9-18)17-14-7-12(8-14)11-4-3-5-13(16)6-11/h3-6,10,12,14-15,17-18H,7-9H2,1-2H3/t12?,14?,15-/m1/s1
InChIKeyHDZIQQJUSHLHIZ-PESDSKBTSA-N
MW267.80 g/mol
LogP3.19
Rot. Bonds5

About (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol

(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol (PubChem CID 79253874) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
PubChem CID79253874
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol
SMILESCC(C)[C@@H](CO)NC1CC(c2cccc(Cl)c2)C1
InChIInChI=1S/C15H22ClNO/c1-10(2)15(9-18)17-14-7-12(8-14)11-4-3-5-13(16)6-11/h3-6,10,12,14-15,17-18H,7-9H2,1-2H3/t12?,14?,15-/m1/s1
InChIKeyHDZIQQJUSHLHIZ-PESDSKBTSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954950
2-[[3-(3-chlorophenyl)cyclobutyl]amino]butan-1-ol
CID 43634758
3-(3-chlorophenyl)-N-(5-methylhexan-2-yl)cyclobutan-1-amine
CID 43634179
2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutanamide
CID 106344516
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
ethyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 61498206
3-(3-chlorophenyl)-N-[1-(4-methylphenyl)ethyl]cyclobutan-1-amine
CID 63449056
3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749174
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
N-[1-(3-chlorophenyl)ethyl]-3-(3-fluorophenyl)cyclobutan-1-amine
CID 43634212
2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
3-(3-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81402505

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
The IUPAC name of (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol (CID 79253874) is (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol.
What is the SMILES notation for (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
The canonical SMILES for (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol is CC(C)[C@@H](CO)NC1CC(c2cccc(Cl)c2)C1.
What is the InChIKey of (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
The InChIKey is HDZIQQJUSHLHIZ-PESDSKBTSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-10(2)15(9-18)17-14-7-12(8-14)11-4-3-5-13(16)6-11/h3-6,10,12,14-15,17-18H,7-9H2,1-2H3/t12?,14?,15-/m1/s1.
What are the key properties of (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol?
(2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol has a molecular weight of 267.80 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(3-chlorophenyl)cyclobutyl]amino]-3-methylbutan-1-ol is sourced from PubChem (CID 79253874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).