2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine

C17H25NO — CID 105051379

IUPAC2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
SMILESNC(CC1CCCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H25NO/c18-17(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)19-16-10-11-16/h6-9,13,16-17H,1-5,10-12,18H2
InChIKeyIGSPWXFXZLHIBZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.20
Rot. Bonds5

About 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine

2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine (PubChem CID 105051379) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
PubChem CID105051379
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine
SMILESNC(CC1CCCCC1)c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H25NO/c18-17(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)19-16-10-11-16/h6-9,13,16-17H,1-5,10-12,18H2
InChIKeyIGSPWXFXZLHIBZ-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-1-(4-cyclopropyloxyphenyl)ethanol
CID 115838412
cycloheptyl-(4-cyclopropyloxyphenyl)methanamine
CID 114519512
2-cyclopentyl-1-(4-phenoxyphenyl)ethanamine
CID 45253768
2-cycloheptyl-1-(4-propoxyphenyl)ethanamine
CID 115853480
2-cyclohexyl-1-(4-iodophenyl)ethanamine
CID 115841897
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
2-cycloheptyl-1-phenylethanamine
CID 21261900
1-(4-butoxyphenyl)-2-cyclopentylethanamine
CID 105139075
1-(4-cyclobutylphenyl)-2-cyclopentylethanamine
CID 105044997
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
2-cyclohexyl-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 63504313
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine?
The IUPAC name of 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine (CID 105051379) is 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine?
The canonical SMILES for 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine is NC(CC1CCCCC1)c1ccc(OC2CC2)cc1.
What is the InChIKey of 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine?
The InChIKey is IGSPWXFXZLHIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c18-17(12-13-4-2-1-3-5-13)14-6-8-15(9-7-14)19-16-10-11-16/h6-9,13,16-17H,1-5,10-12,18H2.
What are the key properties of 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine?
2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine has a molecular weight of 259.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(4-cyclopropyloxyphenyl)ethanamine is sourced from PubChem (CID 105051379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).