N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine

C15H18ClNS2 — CID 63806915

IUPACN-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1Sc1cccs1
InChIInChI=1S/C15H18ClNS2/c1-11(2)9-17-10-12-13(16)5-3-6-14(12)19-15-7-4-8-18-15/h3-8,11,17H,9-10H2,1-2H3
InChIKeyRAILWMYZGXLHRW-UHFFFAOYSA-N
MW311.90 g/mol
LogP5.30
Rot. Bonds6

About N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine

N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63806915) has the molecular formula C15H18ClNS2 and a molecular weight of 311.90 g/mol. Its IUPAC name is N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
PubChem CID63806915
Molecular FormulaC15H18ClNS2
Molecular Weight311.90 g/mol
Exact Mass311.06
IUPAC NameN-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1Sc1cccs1
InChIInChI=1S/C15H18ClNS2/c1-11(2)9-17-10-12-13(16)5-3-6-14(12)19-15-7-4-8-18-15/h3-8,11,17H,9-10H2,1-2H3
InChIKeyRAILWMYZGXLHRW-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.90
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Chlorophenyl)methyl][1-(thiophen-2-yl)propan-2-yl]amine
CID 4868416
3-[(2-chlorophenyl)methylsulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 4988112
N-((2-chlorophenyl)methyl)thiophene-3-ethylamine
CID 6454012
1-(2,4-dichlorophenyl)-N-(thiophen-2-ylmethyl)methanamine
CID 834263
1-[1-[3-(2-chlorophenyl)propyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168268878
1-[1-[2-(2-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168277638
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-methyl-N-(thiophen-3-ylmethyl)methanamine
CID 168290005
2-Thenylamine, alpha-(m-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3061998
2-Thenylamine, alpha-(p-chlorobenzyl)-N-isopropyl-, hydrochloride
CID 3062002
2-(4-Chlorophenyl)-N-ethyl-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062045
N-((2-chlorophenyl)methyl)thiophene-2-ethylamine hydrochloride
CID 6454011
(2-Chloro-benzyl)-(5-methyl-thiophen-2-ylmethyl)-amine
CID 961442

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine (CID 63806915) is N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1c(Cl)cccc1Sc1cccs1.
What is the InChIKey of N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is RAILWMYZGXLHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNS2/c1-11(2)9-17-10-12-13(16)5-3-6-14(12)19-15-7-4-8-18-15/h3-8,11,17H,9-10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine?
N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 311.90 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-thiophen-2-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63806915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).