1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine

C10H16ClNS — CID 62679931

IUPAC1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS/c1-4-10(2,3)9(12)7-5-6-8(11)13-7/h5-6,9H,4,12H2,1-3H3
InChIKeyHMTPDAZZPRMYRJ-UHFFFAOYSA-N
MW217.77 g/mol
LogP3.84
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine

1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine (PubChem CID 62679931) has the molecular formula C10H16ClNS and a molecular weight of 217.77 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
PubChem CID62679931
Molecular FormulaC10H16ClNS
Molecular Weight217.77 g/mol
Exact Mass217.07
IUPAC Name1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)C(N)c1ccc(Cl)s1
InChIInChI=1S/C10H16ClNS/c1-4-10(2,3)9(12)7-5-6-8(11)13-7/h5-6,9H,4,12H2,1-3H3
InChIKeyHMTPDAZZPRMYRJ-UHFFFAOYSA-N
XLogP3.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.77
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(5-chlorothiophen-2-yl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171246493
(1R)-1-(5-chlorothiophen-2-yl)propan-1-amine;hydrochloride
CID 171200569
(1R)-1-(5-chlorothiophen-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 171200575
1-(5-chlorothiophen-2-yl)-2-methylbutan-1-amine
CID 43114556
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine
CID 43114604
1-(4,5-dibromothiophen-2-yl)-2,2-dimethylbutan-1-amine
CID 80533046
(5-chlorothiophen-2-yl)-methoxymethanamine
CID 116947254
(1R)-2,2-dimethyl-1-(4-methylphenyl)butan-1-amine
CID 145315070
(1S)-1-(5-chlorothiophen-2-yl)hexan-1-amine;hydrochloride
CID 171220112
(1R)-1-(5-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171200577

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine (CID 62679931) is 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine is CCC(C)(C)C(N)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine?
The InChIKey is HMTPDAZZPRMYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNS/c1-4-10(2,3)9(12)7-5-6-8(11)13-7/h5-6,9H,4,12H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine?
1-(5-chlorothiophen-2-yl)-2,2-dimethylbutan-1-amine has a molecular weight of 217.77 g/mol, XLogP of 3.84, 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)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 62679931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).