N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine

C15H23NS — CID 66347703

IUPACN-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(SCCC2CC2)c1
InChIInChI=1S/C15H23NS/c1-12(2)16-11-14-4-3-5-15(10-14)17-9-8-13-6-7-13/h3-5,10,12-13,16H,6-9,11H2,1-2H3
InChIKeySAXVRFKBUGROGO-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.08
Rot. Bonds7

About N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine

N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine (PubChem CID 66347703) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
PubChem CID66347703
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(SCCC2CC2)c1
InChIInChI=1S/C15H23NS/c1-12(2)16-11-14-4-3-5-15(10-14)17-9-8-13-6-7-13/h3-5,10,12-13,16H,6-9,11H2,1-2H3
InChIKeySAXVRFKBUGROGO-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
N-cyclopropyl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
CID 66347114
N-propan-2-yl-3-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylpropanamide
CID 66349249
N-[[3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]phenyl]methyl]propan-2-amine
CID 82888283
N-[[3-(oxan-2-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66349440
3-[[3-[(propan-2-ylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497055
N-[[3-(ethoxymethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66349257
N-[[3-(2-methylprop-2-enylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347696
N-[[3-(2-cyclobutylethoxymethyl)phenyl]methyl]propan-2-amine
CID 106206202
1-[3-[(propan-2-ylamino)methyl]phenyl]sulfanylbutan-2-ol
CID 66347490
N-[[3-[(3-chlorophenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346718
N-[[3-[(2-methylphenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 66346908

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine (CID 66347703) is N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(SCCC2CC2)c1.
What is the InChIKey of N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine?
The InChIKey is SAXVRFKBUGROGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-12(2)16-11-14-4-3-5-15(10-14)17-9-8-13-6-7-13/h3-5,10,12-13,16H,6-9,11H2,1-2H3.
What are the key properties of N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine?
N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-cyclopropylethylsulfanyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66347703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).