2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine

C18H23NOS — CID 43786380

IUPAC2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NC(c1ccccc1)c1cccs1
InChIInChI=1S/C18H23NOS/c1-20-16-11-6-5-10-15(16)19-18(17-12-7-13-21-17)14-8-3-2-4-9-14/h2-4,7-9,12-13,15-16,18-19H,5-6,10-11H2,1H3
InChIKeyVBOSOCOVDIVRKL-UHFFFAOYSA-N
MW301.45 g/mol
LogP4.38
Rot. Bonds5

About 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine

2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine (PubChem CID 43786380) has the molecular formula C18H23NOS and a molecular weight of 301.45 g/mol. Its IUPAC name is 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
PubChem CID43786380
Molecular FormulaC18H23NOS
Molecular Weight301.45 g/mol
Exact Mass301.15
IUPAC Name2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine
SMILESCOC1CCCCC1NC(c1ccccc1)c1cccs1
InChIInChI=1S/C18H23NOS/c1-20-16-11-6-5-10-15(16)19-18(17-12-7-13-21-17)14-8-3-2-4-9-14/h2-4,7-9,12-13,15-16,18-19H,5-6,10-11H2,1H3
InChIKeyVBOSOCOVDIVRKL-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine (CID 43786380) is 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine is COC1CCCCC1NC(c1ccccc1)c1cccs1.
What is the InChIKey of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is VBOSOCOVDIVRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-20-16-11-6-5-10-15(16)19-18(17-12-7-13-21-17)14-8-3-2-4-9-14/h2-4,7-9,12-13,15-16,18-19H,5-6,10-11H2,1H3.
What are the key properties of 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine?
2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 301.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[phenyl(thiophen-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 43786380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).