N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine

C14H21NS — CID 63805325

IUPACN-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)CSc1ccccc1CNC1CC1
InChIInChI=1S/C14H21NS/c1-11(2)10-16-14-6-4-3-5-12(14)9-15-13-7-8-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyHAJJGDKNSIWBNA-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine

N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine (PubChem CID 63805325) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
PubChem CID63805325
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)CSc1ccccc1CNC1CC1
InChIInChI=1S/C14H21NS/c1-11(2)10-16-14-6-4-3-5-12(14)9-15-13-7-8-13/h3-6,11,13,15H,7-10H2,1-2H3
InChIKeyHAJJGDKNSIWBNA-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(2-methylpropylsulfanyl)phenyl]methanamine
CID 63805324
N-[[2-(2-methoxyethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807475
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]propan-2-amine
CID 63809900
N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63807786
N-[[2-(2-fluorophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63806637
N-[(2-methylphenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 55193476
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
N-[[2-[2-(2-methylpropoxy)ethoxy]phenyl]methyl]cyclopropanamine
CID 62443971
1-(2-methylpropylsulfanyl)-2-prop-2-enylbenzene
CID 91655457
3-[[3-[(cyclopropylamino)methyl]-2-pyridinyl]sulfanyl]-2-methylpropan-1-ol
CID 114057301
3-[2-[(cyclopropylamino)methyl]phenyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 63808090
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
CID 70450840

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine (CID 63805325) is N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine is CC(C)CSc1ccccc1CNC1CC1.
What is the InChIKey of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
The InChIKey is HAJJGDKNSIWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(2)10-16-14-6-4-3-5-12(14)9-15-13-7-8-13/h3-6,11,13,15H,7-10H2,1-2H3.
What are the key properties of N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine has a molecular weight of 235.40 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63805325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).