2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine

C8H12ClNS — CID 155737734

IUPAC2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine
SMILESCNc1cc(C(C)C)sc1Cl
InChIInChI=1S/C8H12ClNS/c1-5(2)7-4-6(10-3)8(9)11-7/h4-5,10H,1-3H3
InChIKeyCVTLVIHMTNDZKI-UHFFFAOYSA-N
MW189.71 g/mol
LogP3.57
Rot. Bonds2

About 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine

2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine (PubChem CID 155737734) has the molecular formula C8H12ClNS and a molecular weight of 189.71 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine
PubChem CID155737734
Molecular FormulaC8H12ClNS
Molecular Weight189.71 g/mol
Exact Mass189.04
IUPAC Name2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine
SMILESCNc1cc(C(C)C)sc1Cl
InChIInChI=1S/C8H12ClNS/c1-5(2)7-4-6(10-3)8(9)11-7/h4-5,10H,1-3H3
InChIKeyCVTLVIHMTNDZKI-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309556
5-chloro-2-N-(5-chlorothiophen-2-yl)-4-N-methylthiophene-2,4-diamine
CID 69104632
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
4,9,14-tri(propan-2-yl)-3,8,13-trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaene
CID 90225313
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309547
2,5-di(propan-2-yl)thiophene
CID 6429946
4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309544
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
N,6-dimethyl-4-propan-2-ylpyridin-3-amine
CID 146778085
1-(5-chloro-4-methylthiophen-2-yl)-4-methylpentan-1-ol
CID 102764586
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine?
The IUPAC name of 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine (CID 155737734) is 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine.
What is the SMILES notation for 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine?
The canonical SMILES for 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine is CNc1cc(C(C)C)sc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine?
The InChIKey is CVTLVIHMTNDZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNS/c1-5(2)7-4-6(10-3)8(9)11-7/h4-5,10H,1-3H3.
What are the key properties of 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine?
2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine has a molecular weight of 189.71 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine is sourced from PubChem (CID 155737734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).