1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine

C9H14ClNS — CID 43114556

IUPAC1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS/c1-3-6(2)9(11)7-4-5-8(10)12-7/h4-6,9H,3,11H2,1-2H3
InChIKeyQBJDTAAINRJLBC-UHFFFAOYSA-N
MW203.74 g/mol
LogP3.45
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine

1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine (PubChem CID 43114556) has the molecular formula C9H14ClNS and a molecular weight of 203.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
PubChem CID43114556
Molecular FormulaC9H14ClNS
Molecular Weight203.74 g/mol
Exact Mass203.05
IUPAC Name1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ccc(Cl)s1
InChIInChI=1S/C9H14ClNS/c1-3-6(2)9(11)7-4-5-8(10)12-7/h4-6,9H,3,11H2,1-2H3
InChIKeyQBJDTAAINRJLBC-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
1-(5-chlorothiophen-2-yl)-2-methoxypentan-1-amine
CID 116718662
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
1-(5-bromo-4-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 80530869
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 62679931
(2S)-2-amino-N-[1-(5-chlorothiophen-2-yl)propyl]propanamide
CID 119324709
[1-(5-chlorothiophen-2-yl)-2-methylpentyl]hydrazine
CID 105328244

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine (CID 43114556) is 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine is CCC(C)C(N)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine?
The InChIKey is QBJDTAAINRJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNS/c1-3-6(2)9(11)7-4-5-8(10)12-7/h4-6,9H,3,11H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine?
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine has a molecular weight of 203.74 g/mol, XLogP of 3.45, 3 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-methylbutan-1-amine is sourced from PubChem (CID 43114556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).