N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline

C18H21NOS — CID 43683508

IUPACN-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline
SMILESCOc1ccc(C2CC(Nc3ccccc3SC)C2)cc1
InChIInChI=1S/C18H21NOS/c1-20-16-9-7-13(8-10-16)14-11-15(12-14)19-17-5-3-4-6-18(17)21-2/h3-10,14-15,19H,11-12H2,1-2H3
InChIKeyMCXXSQINVKZSSL-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.78
Rot. Bonds5

About N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline

N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline (PubChem CID 43683508) has the molecular formula C18H21NOS and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline
PubChem CID43683508
Molecular FormulaC18H21NOS
Molecular Weight299.44 g/mol
Exact Mass299.13
IUPAC NameN-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline
SMILESCOc1ccc(C2CC(Nc3ccccc3SC)C2)cc1
InChIInChI=1S/C18H21NOS/c1-20-16-9-7-13(8-10-16)14-11-15(12-14)19-17-5-3-4-6-18(17)21-2/h3-10,14-15,19H,11-12H2,1-2H3
InChIKeyMCXXSQINVKZSSL-UHFFFAOYSA-N
XLogP4.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633870
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
N-[3-(4-chlorophenyl)cyclobutyl]-2-ethylsulfanylaniline
CID 63453439
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435
N-[3-(4-methoxyphenyl)cyclobutyl]thiophen-3-amine
CID 66352292
N-[3-(4-bromophenyl)cyclobutyl]-4-methoxy-2-methylaniline
CID 63477720
3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633885
2-fluoro-N-(3-phenylcyclobutyl)aniline
CID 43632160
2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633801
N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
N-[3-(4-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43633620
1-[[3-(4-methoxyphenyl)cyclobutyl]amino]propan-2-ol
CID 43635449

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline?
The IUPAC name of N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline (CID 43683508) is N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline.
What is the SMILES notation for N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline?
The canonical SMILES for N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline is COc1ccc(C2CC(Nc3ccccc3SC)C2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline?
The InChIKey is MCXXSQINVKZSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NOS/c1-20-16-9-7-13(8-10-16)14-11-15(12-14)19-17-5-3-4-6-18(17)21-2/h3-10,14-15,19H,11-12H2,1-2H3.
What are the key properties of N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline?
N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline has a molecular weight of 299.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline is sourced from PubChem (CID 43683508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).