3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine

C13H22ClNS — CID 107361240

IUPAC3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)c1sccc1Cl
InChIInChI=1S/C13H22ClNS/c1-9(2)7-15-8-10(3)11(4)13-12(14)5-6-16-13/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyUEAPCJMRHVRVGD-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.39
Rot. Bonds6

About 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine

3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 107361240) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID107361240
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC Name3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(C)C(C)c1sccc1Cl
InChIInChI=1S/C13H22ClNS/c1-9(2)7-15-8-10(3)11(4)13-12(14)5-6-16-13/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyUEAPCJMRHVRVGD-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorothiophen-2-yl)-2-methylbutyl]cyclopropanamine
CID 107361238
3-(1-benzothiophen-7-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81147183
1-(3-chlorothiophen-2-yl)-N,5-dimethylhexan-1-amine
CID 105028560
N-[3-(3-chlorothiophen-2-yl)butan-2-yl]cyclopropanamine
CID 107360721
2-(1-bromo-4-methylpentyl)-3-chlorothiophene
CID 80530517
3-(3-chlorothiophen-2-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 80531932
2-methyl-N-(2-methylpropyl)-3-(3-methylthiophen-2-yl)propan-1-amine
CID 79995530
3-(3-bromothiophen-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 81019117
1-(3-chlorothiophen-2-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105013001
N-[[2-(3-chlorothiophen-2-yl)-4,4-dimethylcyclohexyl]methyl]-2-methylpropan-1-amine
CID 107361308
bis(3-chlorothiophen-2-yl)methanol
CID 80642135
1-(3-chlorothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130961429

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine (CID 107361240) is 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(C)C(C)c1sccc1Cl.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is UEAPCJMRHVRVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNS/c1-9(2)7-15-8-10(3)11(4)13-12(14)5-6-16-13/h5-6,9-11,15H,7-8H2,1-4H3.
What are the key properties of 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine?
3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 259.85 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 107361240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).