3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol

C16H25NOS — CID 104530246

IUPAC3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C16H25NOS/c1-11-5-4-6-13(7-11)14-8-15(9-14)17-12(2)16(10-18)19-3/h4-7,12,14-18H,8-10H2,1-3H3
InChIKeyZEOVBDFNJNGWCQ-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.94
Rot. Bonds6

About 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol

3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 104530246) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID104530246
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC Name3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)NC1CC(c2cccc(C)c2)C1
InChIInChI=1S/C16H25NOS/c1-11-5-4-6-13(7-11)14-8-15(9-14)17-12(2)16(10-18)19-3/h4-7,12,14-18H,8-10H2,1-3H3
InChIKeyZEOVBDFNJNGWCQ-UHFFFAOYSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(3-methylphenyl)cyclobutyl]amino]propan-1-ol
CID 43635472
N-(3-ethylpentan-2-yl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 63843288
2-[[3-(3-methylphenyl)cyclobutyl]amino]-2-phenylethanol
CID 63182462
2-methylsulfanyl-3-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 103785112
3-(3-methylphenyl)-N-[(1R)-1-(3-methylphenyl)ethyl]cyclobutan-1-amine
CID 81369233
N-(1-cyclopropylethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43635502
3-[[3-(2-methoxyphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol
CID 106158739
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
3-(3-methylphenyl)-N-[(1S)-1-phenylethyl]cyclobutan-1-amine
CID 81350272
3-(3-methylphenyl)-N-pent-4-en-2-ylcyclobutan-1-amine
CID 104530209
N-(dicyclopropylmethyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 43634382
4-methoxy-3-[[3-(3-methylphenyl)cyclobutyl]amino]butan-1-ol
CID 104530239

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol (CID 104530246) is 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)NC1CC(c2cccc(C)c2)C1.
What is the InChIKey of 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is ZEOVBDFNJNGWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-11-5-4-6-13(7-11)14-8-15(9-14)17-12(2)16(10-18)19-3/h4-7,12,14-18H,8-10H2,1-3H3.
What are the key properties of 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol?
3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 279.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methylphenyl)cyclobutyl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 104530246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).