1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine

C14H21NS — CID 79223273

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CC1Cc2ccccc2S1
InChIInChI=1S/C14H21NS/c1-10(2)7-12(15)9-13-8-11-5-3-4-6-14(11)16-13/h3-6,10,12-13H,7-9,15H2,1-2H3
InChIKeyZXMXSMGQYJWZPU-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.47
Rot. Bonds4

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine

1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine (PubChem CID 79223273) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
PubChem CID79223273
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine
SMILESCC(C)CC(N)CC1Cc2ccccc2S1
InChIInChI=1S/C14H21NS/c1-10(2)7-12(15)9-13-8-11-5-3-4-6-14(11)16-13/h3-6,10,12-13H,7-9,15H2,1-2H3
InChIKeyZXMXSMGQYJWZPU-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-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

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylpentan-2-amine
CID 79228415
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N,4-dimethylpentan-1-amine
CID 79227512
2-(4-bromo-2-methylpentyl)-2,3-dihydro-1-benzothiophene
CID 79224341
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
1-(2,3-dihydro-1-benzothiophen-2-yl)-2,4-dimethylpentan-1-amine
CID 114285063
N-[3-(2,3-dihydro-1-benzothiophen-2-yl)-2-methylpropyl]cyclopropanamine
CID 79229094
4-(2,3-dihydro-1-benzothiophen-2-yl)-N,2,3-trimethylbutan-1-amine
CID 81016217
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(3-methylbutan-2-ylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 107754265
1-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)-4-methylpentan-2-ol
CID 107152561
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine (CID 79223273) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine is CC(C)CC(N)CC1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine?
The InChIKey is ZXMXSMGQYJWZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-10(2)7-12(15)9-13-8-11-5-3-4-6-14(11)16-13/h3-6,10,12-13H,7-9,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine has a molecular weight of 235.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-4-methylpentan-2-amine is sourced from PubChem (CID 79223273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).