2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

C19H27NS — CID 63737915

IUPAC2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1csc2ccccc12
InChIInChI=1S/C19H27NS/c1-13(2)14-8-9-18(20-3)15(10-14)11-16-12-21-19-7-5-4-6-17(16)19/h4-7,12-15,18,20H,8-11H2,1-3H3
InChIKeyPTSLHFFJVZSQKX-UHFFFAOYSA-N
MW301.50 g/mol
LogP5.10
Rot. Bonds4

About 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine

2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63737915) has the molecular formula C19H27NS and a molecular weight of 301.50 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
PubChem CID63737915
Molecular FormulaC19H27NS
Molecular Weight301.50 g/mol
Exact Mass301.19
IUPAC Name2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
SMILESCNC1CCC(C(C)C)CC1Cc1csc2ccccc12
InChIInChI=1S/C19H27NS/c1-13(2)14-8-9-18(20-3)15(10-14)11-16-12-21-19-7-5-4-6-17(16)19/h4-7,12-15,18,20H,8-11H2,1-3H3
InChIKeyPTSLHFFJVZSQKX-UHFFFAOYSA-N
XLogP5.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401772
2-(1-benzothiophen-3-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63737228
2-(1-benzothiophen-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424756
N-[[2-(1-benzothiophen-3-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81033729
2-[(3-fluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401547
3-(1-benzothiophen-3-ylmethyl)-2-methyl-N-propylcyclopentan-1-amine
CID 64907706
2-[(3,4-difluorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 82920745
2-[(3,4-dichlorophenyl)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401107
(3S)-1-(1-benzothiophen-3-ylmethyl)-3-propan-2-ylpiperidine
CID 66807220
2-(1-benzothiophen-3-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105116915
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 66365365
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine (CID 63737915) is 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine is CNC1CCC(C(C)C)CC1Cc1csc2ccccc12.
What is the InChIKey of 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is PTSLHFFJVZSQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NS/c1-13(2)14-8-9-18(20-3)15(10-14)11-16-12-21-19-7-5-4-6-17(16)19/h4-7,12-15,18,20H,8-11H2,1-3H3.
What are the key properties of 2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine?
2-(1-benzothiophen-3-ylmethyl)-N-methyl-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 5.10, 4 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)-N-methyl-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63737915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).