1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine

C11H18ClNS — CID 63891076

IUPAC1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-11(2,3)7-8(13)6-9-4-5-10(12)14-9/h4-5,8H,6-7,13H2,1-3H3
InChIKeyFYTNVKWMMJZXPI-UHFFFAOYSA-N
MW231.79 g/mol
LogP3.71
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine

1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine (PubChem CID 63891076) has the molecular formula C11H18ClNS and a molecular weight of 231.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
PubChem CID63891076
Molecular FormulaC11H18ClNS
Molecular Weight231.79 g/mol
Exact Mass231.08
IUPAC Name1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
SMILESCC(C)(C)CC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C11H18ClNS/c1-11(2,3)7-8(13)6-9-4-5-10(12)14-9/h4-5,8H,6-7,13H2,1-3H3
InChIKeyFYTNVKWMMJZXPI-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952579
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105135075
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899977
1-(5-chlorothiophen-2-yl)-3-ethoxy-3-methylpentan-2-amine
CID 116758497
1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
CID 105135317
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
3-amino-1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 116611485
1-(5-chlorothiophen-2-yl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 79062445
[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105296073
1-(4-chlorophenyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 62607560

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine (CID 63891076) is 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine is CC(C)(C)CC(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine?
The InChIKey is FYTNVKWMMJZXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNS/c1-11(2,3)7-8(13)6-9-4-5-10(12)14-9/h4-5,8H,6-7,13H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine?
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine has a molecular weight of 231.79 g/mol, XLogP of 3.71, 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)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 63891076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).