N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine

C14H21NS — CID 63807786

IUPACN-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)CSc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-11(2)10-16-14-7-3-12(4-8-14)9-15-13-5-6-13/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3
InChIKeyIHLXHLBQSABTKF-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.69
Rot. Bonds6

About N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine

N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine (PubChem CID 63807786) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
PubChem CID63807786
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
SMILESCC(C)CSc1ccc(CNC2CC2)cc1
InChIInChI=1S/C14H21NS/c1-11(2)10-16-14-7-3-12(4-8-14)9-15-13-5-6-13/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3
InChIKeyIHLXHLBQSABTKF-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-[(4-propan-2-ylphenyl)methyl]cyclopropanamine
CID 4723387
3-[[4-[(cyclopropylamino)methyl]phenyl]sulfanylmethyl]pentan-3-ol
CID 114497079
1-cyclopentyl-3-[4-[(cyclopropylamino)methyl]phenyl]sulfanylpropan-2-ol
CID 103161084
N-[[2-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805325
N-[[4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 63805871
N-[[4-(3-ethylsulfanylpropylsulfanyl)phenyl]methyl]cyclopropanamine
CID 113474406
3-[4-[(cyclopropylamino)methyl]phenyl]sulfanyl-N-methylpropanamide
CID 113384882
N-[(4-phenylsulfanylphenyl)methyl]cyclopropanamine
CID 63805737
N-[[4-(4-bromophenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 55240005
N-[(4-methylsulfanylphenyl)methyl]cycloheptanamine
CID 4722425
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
1-[3-[(cyclopropylamino)methyl]phenyl]sulfanyl-3-methylbutan-2-ol
CID 114250004

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine (CID 63807786) is N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine is CC(C)CSc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
The InChIKey is IHLXHLBQSABTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(2)10-16-14-7-3-12(4-8-14)9-15-13-5-6-13/h3-4,7-8,11,13,15H,5-6,9-10H2,1-2H3.
What are the key properties of N-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine?
N-[[4-(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-[[4-(2-methylpropylsulfanyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63807786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).