3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline

C16H22F3NO — CID 64753647

IUPAC3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCCCOc1cccc(NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H22F3NO/c1-2-10-21-15-5-3-4-14(11-15)20-13-8-6-12(7-9-13)16(17,18)19/h3-5,11-13,20H,2,6-10H2,1H3
InChIKeyIGIRGIDTQRDJFC-UHFFFAOYSA-N
MW301.35 g/mol
LogP5.01
Rot. Bonds5

About 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline

3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline (PubChem CID 64753647) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline.

Molecular Properties

Compound Name3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
PubChem CID64753647
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
SMILESCCCOc1cccc(NC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C16H22F3NO/c1-2-10-21-15-5-3-4-14(11-15)20-13-8-6-12(7-9-13)16(17,18)19/h3-5,11-13,20H,2,6-10H2,1H3
InChIKeyIGIRGIDTQRDJFC-UHFFFAOYSA-N
XLogP5.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64755472
3-propoxy-N-[2-(trifluoromethyl)cyclohexyl]aniline
CID 64758477
1,1-dioxo-N-(3-propoxyphenyl)thian-4-amine
CID 43693787
N-(3-ethylcyclopentyl)-3-propoxyaniline
CID 64501066
3-(difluoromethoxy)-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754052
N-(3-propoxyphenyl)azepan-4-amine
CID 103981177
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
1-N-(3-propoxyphenyl)cyclohexane-1,3-diamine
CID 79458462
N-(3-phenylcyclobutyl)-3-propoxyaniline
CID 43693771
1,1-dioxo-N-(3-propoxyphenyl)thian-3-amine
CID 63909303
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
N-cyclopropyl-3-(2-methylpropoxy)aniline
CID 103439181

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The IUPAC name of 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline (CID 64753647) is 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline.
What is the SMILES notation for 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The canonical SMILES for 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline is CCCOc1cccc(NC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
The InChIKey is IGIRGIDTQRDJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-2-10-21-15-5-3-4-14(11-15)20-13-8-6-12(7-9-13)16(17,18)19/h3-5,11-13,20H,2,6-10H2,1H3.
What are the key properties of 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline?
3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline has a molecular weight of 301.35 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[4-(trifluoromethyl)cyclohexyl]aniline is sourced from PubChem (CID 64753647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).