2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine

C19H19NS — CID 63738278

IUPAC2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(Cc2csc3ccccc23)CCc2ccccc2C1
InChIInChI=1S/C19H19NS/c20-19(10-9-14-5-1-2-6-15(14)11-19)12-16-13-21-18-8-4-3-7-17(16)18/h1-8,13H,9-12,20H2
InChIKeyRNUICTRFKXAPEG-UHFFFAOYSA-N
MW293.44 g/mol
LogP4.33
Rot. Bonds2

About 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine

2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 63738278) has the molecular formula C19H19NS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID63738278
Molecular FormulaC19H19NS
Molecular Weight293.44 g/mol
Exact Mass293.12
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
SMILESNC1(Cc2csc3ccccc23)CCc2ccccc2C1
InChIInChI=1S/C19H19NS/c20-19(10-9-14-5-1-2-6-15(14)11-19)12-16-13-21-18-8-4-3-7-17(16)18/h1-8,13H,9-12,20H2
InChIKeyRNUICTRFKXAPEG-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-benzothiophen-3-ylmethyl)cyclohexyl]methanamine
CID 63738318
1-(1-benzothiophen-3-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79834589
1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine
CID 64573137
[1-(1-benzothiophen-3-ylmethyl)-3-methylcyclopentyl]methanamine
CID 65401475
1-(1-benzothiophen-3-ylmethyl)cycloheptane-1-carbonitrile
CID 65389327
2-[(5-fluoro-2-methylphenyl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 105373089
3-(1-benzothiophen-3-ylmethyl)-2-methylthian-3-ol
CID 79951470
N-[[1-(1-benzothiophen-3-ylmethyl)cyclopropyl]methyl]cyclopropanamine
CID 66024029
1-[4-(1-benzothiophen-3-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 63736929
1-(1-benzothiophen-3-ylmethyl)-2,3-dimethylcyclohexan-1-ol
CID 65154330
3-(1-benzothiophen-3-ylmethyl)-3-propylazetidine
CID 79451537
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine (CID 63738278) is 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine is NC1(Cc2csc3ccccc23)CCc2ccccc2C1.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is RNUICTRFKXAPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NS/c20-19(10-9-14-5-1-2-6-15(14)11-19)12-16-13-21-18-8-4-3-7-17(16)18/h1-8,13H,9-12,20H2.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine?
2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 293.44 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 63738278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).