N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine

C15H23NS — CID 79223008

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-3-4-7-12(2)16-11-14-10-13-8-5-6-9-15(13)17-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyLPNWSYGIDBZPPK-UHFFFAOYSA-N
MW249.42 g/mol
LogP3.87
Rot. Bonds6

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine (PubChem CID 79223008) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
PubChem CID79223008
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine
SMILESCCCCC(C)NCC1Cc2ccccc2S1
InChIInChI=1S/C15H23NS/c1-3-4-7-12(2)16-11-14-10-13-8-5-6-9-15(13)17-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3
InChIKeyLPNWSYGIDBZPPK-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
(2S)-2-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,2-diamine
CID 104867546
1-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propan-2-amine
CID 79224418
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine
CID 113493468
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-methoxypropan-2-amine
CID 79213714
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-iodo-3-methylbutan-2-amine
CID 107859499
1-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbutan-2-amine
CID 107859245
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 79222243
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050
(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
CID 81353201

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine (CID 79223008) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine is CCCCC(C)NCC1Cc2ccccc2S1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine?
The InChIKey is LPNWSYGIDBZPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-4-7-12(2)16-11-14-10-13-8-5-6-9-15(13)17-14/h5-6,8-9,12,14,16H,3-4,7,10-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine has a molecular weight of 249.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)hexan-2-amine is sourced from PubChem (CID 79223008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).