N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline

C13H16F3NO — CID 64917318

IUPACN-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
SMILESCCC(Nc1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3NO/c1-2-12(9-6-7-9)17-10-4-3-5-11(8-10)18-13(14,15)16/h3-5,8-9,12,17H,2,6-7H2,1H3
InChIKeyFZTARWCNSZMTJO-UHFFFAOYSA-N
MW259.27 g/mol
LogP4.19
Rot. Bonds5

About N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline

N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline (PubChem CID 64917318) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
PubChem CID64917318
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC NameN-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
SMILESCCC(Nc1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H16F3NO/c1-2-12(9-6-7-9)17-10-4-3-5-11(8-10)18-13(14,15)16/h3-5,8-9,12,17H,2,6-7H2,1H3
InChIKeyFZTARWCNSZMTJO-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
N-(1-cyclopropylpropyl)-2-(trifluoromethoxy)aniline
CID 64920294
N-(1-ethoxypropan-2-yl)-3-(trifluoromethoxy)aniline
CID 113353765
N-(1-cyclopropylpropyl)aniline;hydrochloride
CID 174269039
1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene
CID 68762081
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
N-(2,2-diethoxyethyl)-3-(trifluoromethoxy)aniline
CID 70246305
8-methyl-N-[3-(trifluoromethoxy)phenyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 43131680
2-cyclopropyl-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 116709170
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 63407060
N-[1-(2-bromophenyl)ethyl]-3-(trifluoromethoxy)aniline
CID 43095156
2-(4-fluoroanilino)-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 138627399

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline?
The IUPAC name of N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline (CID 64917318) is N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline is CCC(Nc1cccc(OC(F)(F)F)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline?
The InChIKey is FZTARWCNSZMTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-12(9-6-7-9)17-10-4-3-5-11(8-10)18-13(14,15)16/h3-5,8-9,12,17H,2,6-7H2,1H3.
What are the key properties of N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline?
N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline has a molecular weight of 259.27 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 64917318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).