N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine

C18H21NS — CID 79222243

IUPACN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2Cc3ccccc3S2)cc1
InChIInChI=1S/C18H21NS/c1-13-7-9-15(10-8-13)14(2)19-12-17-11-16-5-3-4-6-18(16)20-17/h3-10,14,17,19H,11-12H2,1-2H3
InChIKeyVUXGREATJXALAK-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.36
Rot. Bonds4

About N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine (PubChem CID 79222243) has the molecular formula C18H21NS and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine
PubChem CID79222243
Molecular FormulaC18H21NS
Molecular Weight283.44 g/mol
Exact Mass283.14
IUPAC NameN-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine
SMILESCc1ccc(C(C)NCC2Cc3ccccc3S2)cc1
InChIInChI=1S/C18H21NS/c1-13-7-9-15(10-8-13)14(2)19-12-17-11-16-5-3-4-6-18(16)20-17/h3-10,14,17,19H,11-12H2,1-2H3
InChIKeyVUXGREATJXALAK-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chlorophenyl)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)ethanamine
CID 81353201
(1R)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81374444
(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
(1S)-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81354541
2-(2,3-dihydro-1-benzothiophen-2-ylmethylamino)propanamide
CID 79214050
4-bromo-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)butan-2-amine
CID 83188006
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)hexan-2-amine
CID 79223008
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylsulfinylbutan-2-amine
CID 113493468
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-(2-methylpropoxy)methanamine
CID 82715413

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine (CID 79222243) is N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine is Cc1ccc(C(C)NCC2Cc3ccccc3S2)cc1.
What is the InChIKey of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
The InChIKey is VUXGREATJXALAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NS/c1-13-7-9-15(10-8-13)14(2)19-12-17-11-16-5-3-4-6-18(16)20-17/h3-10,14,17,19H,11-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine?
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1-(4-methylphenyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 4.36, 4 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)-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 79222243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).