1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine

C13H22ClNS — CID 63560615

IUPAC1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H22ClNS/c1-4-8-15-12(5-2)10(3)9-11-6-7-13(14)16-11/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyFVUMRWLSXYDTDB-UHFFFAOYSA-N
MW259.85 g/mol
LogP4.36
Rot. Bonds7

About 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine

1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine (PubChem CID 63560615) has the molecular formula C13H22ClNS and a molecular weight of 259.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
PubChem CID63560615
Molecular FormulaC13H22ClNS
Molecular Weight259.85 g/mol
Exact Mass259.12
IUPAC Name1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H22ClNS/c1-4-8-15-12(5-2)10(3)9-11-6-7-13(14)16-11/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyFVUMRWLSXYDTDB-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.85
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine
CID 116725952
N-[2-(5-chlorothiophen-2-yl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 63412241
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
N-[1-(4-bromophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 63411936
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 79053736
2-methyl-1-phenyl-N-propylpentan-3-amine
CID 63561010
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
N-[1-(4-chloro-2,5-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841882
N-[1-(4-bromo-2,6-difluorophenyl)-2-(5-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 115841679

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine (CID 63560615) is 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine is CCCNC(CC)C(C)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine?
The InChIKey is FVUMRWLSXYDTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNS/c1-4-8-15-12(5-2)10(3)9-11-6-7-13(14)16-11/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine?
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine has a molecular weight of 259.85 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine is sourced from PubChem (CID 63560615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).