3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine

C14H21NOS — CID 63981363

IUPAC3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCSC)C2)c1
InChIInChI=1S/C14H21NOS/c1-16-14-5-3-4-11(10-14)12-8-13(9-12)15-6-7-17-2/h3-5,10,12-13,15H,6-9H2,1-2H3
InChIKeyHNPPWOLJKHMTJO-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.89
Rot. Bonds6

About 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine

3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine (PubChem CID 63981363) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
PubChem CID63981363
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine
SMILESCOc1cccc(C2CC(NCCSC)C2)c1
InChIInChI=1S/C14H21NOS/c1-16-14-5-3-4-11(10-14)12-8-13(9-12)15-6-7-17-2/h3-5,10,12-13,15H,6-9H2,1-2H3
InChIKeyHNPPWOLJKHMTJO-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopropyl-N-[3-(3-methoxyphenyl)cyclobutyl]-N'-methylethane-1,2-diamine
CID 62975535
N-[2-[[3-(3-methoxyphenyl)cyclobutyl]amino]ethyl]methanesulfonamide
CID 43634854
N-(2,3-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 64569258
N-(2,2-dimethylbutyl)-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 103699490
N-[2-(cyclopenten-1-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106169746
3-(3-methoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]cyclobutan-1-amine
CID 61040203
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(3-methoxyphenyl)cyclobutan-1-amine
CID 106043404
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]pentan-3-ol
CID 65107986
1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65105160
3-(3-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238922
2-[1-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]cyclopropyl]ethanol
CID 114756110
3-(3-methoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclobutan-1-amine
CID 62997574

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine (CID 63981363) is 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine is COc1cccc(C2CC(NCCSC)C2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
The InChIKey is HNPPWOLJKHMTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-16-14-5-3-4-11(10-14)12-8-13(9-12)15-6-7-17-2/h3-5,10,12-13,15H,6-9H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine?
3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine has a molecular weight of 251.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(2-methylsulfanylethyl)cyclobutan-1-amine is sourced from PubChem (CID 63981363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).