3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

C19H26F3NO2 — CID 141080634

IUPAC3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCCC(OC2CCCC2)C1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H26F3NO2/c20-19(21,22)25-15-10-8-13(9-11-15)12-16-17(23)6-3-7-18(16)24-14-4-1-2-5-14/h8-11,14,16-18H,1-7,12,23H2
InChIKeyGWEDPONWCPIYLH-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.58
Rot. Bonds5

About 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine

3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (PubChem CID 141080634) has the molecular formula C19H26F3NO2 and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
PubChem CID141080634
Molecular FormulaC19H26F3NO2
Molecular Weight357.42 g/mol
Exact Mass357.19
IUPAC Name3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCCC(OC2CCCC2)C1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H26F3NO2/c20-19(21,22)25-15-10-8-13(9-11-15)12-16-17(23)6-3-7-18(16)24-14-4-1-2-5-14/h8-11,14,16-18H,1-7,12,23H2
InChIKeyGWEDPONWCPIYLH-UHFFFAOYSA-N
XLogP4.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
N-(azetidin-3-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentanamine
CID 142725287
4-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 106778601
3-bromo-4-[[4-(trifluoromethoxy)phenyl]methyl]thiolane
CID 83189969
acetic acid;2-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 174644977
2-amino-N-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 64818115
1-(cyclopentylamino)-3-[4-(trifluoromethoxy)phenyl]propan-2-one
CID 116558957
2-ethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43434136
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
3-amino-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119717344

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine (CID 141080634) is 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is NC1CCCC(OC2CCCC2)C1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is GWEDPONWCPIYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO2/c20-19(21,22)25-15-10-8-13(9-11-15)12-16-17(23)6-3-7-18(16)24-14-4-1-2-5-14/h8-11,14,16-18H,1-7,12,23H2.
What are the key properties of 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine?
3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 357.42 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-2-[[4-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 141080634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).