1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine

C12H20ClNS — CID 62600562

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC(C)C
InChIInChI=1S/C12H20ClNS/c1-4-14-10(7-9(2)3)8-11-5-6-12(13)15-11/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyYVZYRYLAFAVZAQ-UHFFFAOYSA-N
MW245.82 g/mol
LogP3.97
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine (PubChem CID 62600562) has the molecular formula C12H20ClNS and a molecular weight of 245.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
PubChem CID62600562
Molecular FormulaC12H20ClNS
Molecular Weight245.82 g/mol
Exact Mass245.10
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)CC(C)C
InChIInChI=1S/C12H20ClNS/c1-4-14-10(7-9(2)3)8-11-5-6-12(13)15-11/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyYVZYRYLAFAVZAQ-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(2-methylphenyl)propan-2-amine
CID 62603564
1-(2-bromophenyl)-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 55187580
1-(5-chlorothiophen-2-yl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115841681
1-(5-chlorothiophen-2-yl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103168454
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
1-(5-chlorothiophen-2-yl)-N-ethyl-3-(3-methylphenyl)propan-2-amine
CID 62604502
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine (CID 62600562) is 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine is CCNC(Cc1ccc(Cl)s1)CC(C)C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine?
The InChIKey is YVZYRYLAFAVZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNS/c1-4-14-10(7-9(2)3)8-11-5-6-12(13)15-11/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine has a molecular weight of 245.82 g/mol, XLogP of 3.97, 6 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)-N-ethyl-4-methylpentan-2-amine is sourced from PubChem (CID 62600562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).