N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine

C14H21NS — CID 106797623

IUPACN-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine
SMILESCNC(C)C1(CCSc2ccccc2)CC1
InChIInChI=1S/C14H21NS/c1-12(15-2)14(8-9-14)10-11-16-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3
InChIKeyLLTLLYASJBJRJP-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.56
Rot. Bonds6

About N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine

N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine (PubChem CID 106797623) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine
PubChem CID106797623
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine
SMILESCNC(C)C1(CCSc2ccccc2)CC1
InChIInChI=1S/C14H21NS/c1-12(15-2)14(8-9-14)10-11-16-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3
InChIKeyLLTLLYASJBJRJP-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(2-phenylmethoxyethyl)cyclopropyl]ethanamine
CID 130537033
1-[1-(2-ethylsulfanylethyl)cyclopropyl]-N-methylethanamine
CID 106797629
2-methyl-N-[[1-(2-phenylsulfanylethyl)cyclopropyl]methyl]propan-1-amine
CID 79228382
[1-(2-phenylsulfanylethyl)cyclopropyl]methanamine
CID 79229107
1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanone
CID 106797333
N-methyl-1-[1-[(2-methylphenyl)methyl]cyclopropyl]ethanamine
CID 106797530
N,2,2-trimethyl-7-phenylsulfanylheptan-3-amine
CID 79223913
2-[1-(bromomethyl)cyclopentyl]ethylsulfanylbenzene
CID 79223410
[1-(2-phenylsulfanylethyl)cyclohexyl]methanol
CID 79223958
N-[[4-(2-phenylsulfanylethyl)oxan-4-yl]methyl]ethanamine
CID 79228269
[2-(2-phenylsulfanylethyl)thiolan-2-yl]methanamine
CID 83173206
2-(2-phenylsulfanylethylsulfanyl)propan-1-ol
CID 115882650

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine (CID 106797623) is N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine is CNC(C)C1(CCSc2ccccc2)CC1.
What is the InChIKey of N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine?
The InChIKey is LLTLLYASJBJRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-12(15-2)14(8-9-14)10-11-16-13-6-4-3-5-7-13/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine?
N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine has a molecular weight of 235.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-phenylsulfanylethyl)cyclopropyl]ethanamine is sourced from PubChem (CID 106797623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).