2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine

C17H23NOS — CID 114729022

IUPAC2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1cccc2cc(C(N)CSC3CCCCC3)oc12
InChIInChI=1S/C17H23NOS/c1-12-6-5-7-13-10-16(19-17(12)13)15(18)11-20-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3
InChIKeyPHTPWRQBTODDGK-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.81
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine

2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 114729022) has the molecular formula C17H23NOS and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID114729022
Molecular FormulaC17H23NOS
Molecular Weight289.44 g/mol
Exact Mass289.15
IUPAC Name2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1cccc2cc(C(N)CSC3CCCCC3)oc12
InChIInChI=1S/C17H23NOS/c1-12-6-5-7-13-10-16(19-17(12)13)15(18)11-20-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3
InChIKeyPHTPWRQBTODDGK-UHFFFAOYSA-N
XLogP4.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine 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

2-ethylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 114728880
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
1-(7-methyl-1-benzofuran-2-yl)-2-(4-methylphenyl)sulfanylethanamine
CID 114729408
2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
2-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine
CID 105045483
2-cyclohexylsulfanyl-1-(2,4,5-trimethylphenyl)ethanamine
CID 65139652
2-methyl-1-(7-methyl-1-benzofuran-2-yl)-3-methylsulfanylpropan-1-amine
CID 114222058
2-cyclopentylsulfanyl-1-naphthalen-1-ylethanamine
CID 64627941
(2,2-dimethylcyclopentyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107191137

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine (CID 114729022) is 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine is Cc1cccc2cc(C(N)CSC3CCCCC3)oc12.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is PHTPWRQBTODDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NOS/c1-12-6-5-7-13-10-16(19-17(12)13)15(18)11-20-14-8-3-2-4-9-14/h5-7,10,14-15H,2-4,8-9,11,18H2,1H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine?
2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(7-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 114729022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).