N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine

C14H20ClNS — CID 63805892

IUPACN-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
SMILESCC(C)(C)Sc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H20ClNS/c1-14(2,3)17-13-6-4-5-12(15)11(13)9-16-10-7-8-10/h4-6,10,16H,7-9H2,1-3H3
InChIKeyXXIAWJMOQDHLLK-UHFFFAOYSA-N
MW269.84 g/mol
LogP4.48
Rot. Bonds4

About N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine

N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine (PubChem CID 63805892) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
PubChem CID63805892
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC NameN-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
SMILESCC(C)(C)Sc1cccc(Cl)c1CNC1CC1
InChIInChI=1S/C14H20ClNS/c1-14(2,3)17-13-6-4-5-12(15)11(13)9-16-10-7-8-10/h4-6,10,16H,7-9H2,1-3H3
InChIKeyXXIAWJMOQDHLLK-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine
CID 63809780
N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[[2-chloro-6-(4-methoxyphenyl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805453
N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 83307890
3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-[[2-chloro-6-(1-methyltetrazol-5-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63805748
N-[[2-chloro-6-(4-methylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807191
2-(2-tert-butylsulfanyl-6-chlorophenyl)ethanamine
CID 63835994
N-[(2,6-dichlorophenyl)methyl]-1-methylpiperidin-4-amine
CID 43215915
N-[(2,6-dichlorophenyl)methyl]piperidin-4-amine
CID 66519808
N-[(2,6-dichlorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64741298
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207

Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine (CID 63805892) is N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine is CC(C)(C)Sc1cccc(Cl)c1CNC1CC1.
What is the InChIKey of N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine?
The InChIKey is XXIAWJMOQDHLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNS/c1-14(2,3)17-13-6-4-5-12(15)11(13)9-16-10-7-8-10/h4-6,10,16H,7-9H2,1-3H3.
What are the key properties of N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine?
N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine has a molecular weight of 269.84 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butylsulfanyl-6-chlorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 63805892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).