(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine

C18H23NOS — CID 81121687

IUPAC(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C18H23NOS/c1-20-16-11-17(21-12-16)18(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13,18H,2-6,19H2,1H3
InChIKeyKMWKDAYPYOYUIG-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.85
Rot. Bonds4

About (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine

(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine (PubChem CID 81121687) has the molecular formula C18H23NOS and a molecular weight of 301.46 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine
PubChem CID81121687
Molecular FormulaC18H23NOS
Molecular Weight301.46 g/mol
Exact Mass301.15
IUPAC Name(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine
SMILESCOc1csc(C(N)c2ccc(C3CCCCC3)cc2)c1
InChIInChI=1S/C18H23NOS/c1-20-16-11-17(21-12-16)18(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13,18H,2-6,19H2,1H3
InChIKeyKMWKDAYPYOYUIG-UHFFFAOYSA-N
XLogP4.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 116505877
cyclopentyl-(4-methoxythiophen-2-yl)methanamine
CID 115779094
[2,4-di(propan-2-yl)phenyl]-(4-methoxythiophen-2-yl)methanamine
CID 81121689
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanamine
CID 114602513
5-[amino-(4-methoxythiophen-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 81126553
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 105044855
(4-methoxythiophen-2-yl)-(3-propan-2-yloxyphenyl)methanamine
CID 105019103
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
[4-(1-methoxyethyl)phenyl]cycloheptane
CID 143858990
1-(4-cyclohexylphenyl)-N'-methylmethanediamine
CID 116939287
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
(4-methoxythiophen-2-yl)-quinolin-3-ylmethanamine
CID 115798693

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine?
The IUPAC name of (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine (CID 81121687) is (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine is COc1csc(C(N)c2ccc(C3CCCCC3)cc2)c1.
What is the InChIKey of (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine?
The InChIKey is KMWKDAYPYOYUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NOS/c1-20-16-11-17(21-12-16)18(19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h7-13,18H,2-6,19H2,1H3.
What are the key properties of (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine?
(4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine has a molecular weight of 301.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(4-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 81121687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).