N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

C15H23NS — CID 103716991

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NCC2CC2(C)C)cc1
InChIInChI=1S/C15H23NS/c1-11(16-10-13-9-15(13,2)3)12-5-7-14(17-4)8-6-12/h5-8,11,13,16H,9-10H2,1-4H3
InChIKeyYZEOQPTZYPCXJL-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.11
Rot. Bonds5

About N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine

N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 103716991) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID103716991
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
SMILESCSc1ccc(C(C)NCC2CC2(C)C)cc1
InChIInChI=1S/C15H23NS/c1-11(16-10-13-9-15(13,2)3)12-5-7-14(17-4)8-6-12/h5-8,11,13,16H,9-10H2,1-4H3
InChIKeyYZEOQPTZYPCXJL-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515
N-[(4-methylcyclohexyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 63462112
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 113348517
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 61004141
3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]butan-1-amine
CID 43193079
2-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]benzene-1,3-diol
CID 114107662
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methyl-3-nitrophenyl)ethanamine
CID 103902082
N-[(2,2-dimethylcyclopropyl)methyl]-1-(3-nitrophenyl)ethanamine
CID 103716993
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
N-[3-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]phenyl]acetamide
CID 103902115
N-[(2,2-dimethylcyclopropyl)methyl]-1-(2,4-dimethylphenyl)ethanamine
CID 114107679
N-[1-(4-methylsulfanylphenyl)ethyl]hex-5-yn-1-amine
CID 103903628

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine (CID 103716991) is N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is CSc1ccc(C(C)NCC2CC2(C)C)cc1.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is YZEOQPTZYPCXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-11(16-10-13-9-15(13,2)3)12-5-7-14(17-4)8-6-12/h5-8,11,13,16H,9-10H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine?
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 249.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 103716991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).