1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine

C16H21NOS — CID 64573137

IUPAC1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCc2csc3ccccc23)CCCCC1
InChIInChI=1S/C16H21NOS/c17-16(8-4-1-5-9-16)12-18-10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11H,1,4-5,8-10,12,17H2
InChIKeyGKMDQRWZGBHSOK-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.08
Rot. Bonds4

About 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine

1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine (PubChem CID 64573137) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine
PubChem CID64573137
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine
SMILESNC1(COCc2csc3ccccc23)CCCCC1
InChIInChI=1S/C16H21NOS/c17-16(8-4-1-5-9-16)12-18-10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11H,1,4-5,8-10,12,17H2
InChIKeyGKMDQRWZGBHSOK-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-[(2-methylquinolin-4-yl)methoxymethyl]cyclopentan-1-amine
CID 79235274
1-[(2,3-dichlorophenyl)methoxymethyl]cyclohexan-1-amine
CID 107307001
2-(1-benzothiophen-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63738278
1-(1-benzothiophen-3-ylmethyl)cycloheptane-1-carbonitrile
CID 65389327
1-amino-N-[2-(1-benzothiophen-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296493
2-(1-benzothiophen-3-ylmethoxymethyl)pyrrolidine
CID 63738091
3-(propan-2-yloxymethyl)-1-benzothiophene
CID 117170953
[2-(1-benzothiophen-3-yl)-1-(2-methyloxan-2-yl)ethyl]hydrazine
CID 105256128
1-[(2,5-difluorophenyl)methoxymethyl]cycloheptan-1-amine
CID 64551910
1-amino-N-(1-benzothiophen-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 119281546

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine (CID 64573137) is 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine is NC1(COCc2csc3ccccc23)CCCCC1.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine?
The InChIKey is GKMDQRWZGBHSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c17-16(8-4-1-5-9-16)12-18-10-13-11-19-15-7-3-2-6-14(13)15/h2-3,6-7,11H,1,4-5,8-10,12,17H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine?
1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine has a molecular weight of 275.42 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 64573137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).