N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline

C11H12F3NO — CID 174736613

IUPACN-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
SMILESCN(c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C11H12F3NO/c1-15(8-2-3-8)9-4-6-10(7-5-9)16-11(12,13)14/h4-8H,2-3H2,1H3
InChIKeyOGTHSXCPINHGLA-UHFFFAOYSA-N
MW231.22 g/mol
LogP3.18
Rot. Bonds3

About N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline

N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline (PubChem CID 174736613) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
PubChem CID174736613
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline
SMILESCN(c1ccc(OC(F)(F)F)cc1)C1CC1
InChIInChI=1S/C11H12F3NO/c1-15(8-2-3-8)9-4-6-10(7-5-9)16-11(12,13)14/h4-8H,2-3H2,1H3
InChIKeyOGTHSXCPINHGLA-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-N,1,3-trimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208259
N,4-dimethyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromen-7-amine
CID 155313727
N-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-amine
CID 63644044
N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43607736
2-[cyclopropyl-[3-[4-(trifluoromethoxy)phenyl]propanoyl]amino]propanoic acid
CID 119203206
N-chloro-N-[4-(trifluoromethoxy)phenyl]hydroxylamine
CID 145273685
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
2-[cyclopropyl(formyl)amino]-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 63687810
N-ethyl-N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethoxy)aniline
CID 59726238
N-methyl-N-pyrrolidin-3-yl-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119554562

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline?
The IUPAC name of N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline (CID 174736613) is N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline is CN(c1ccc(OC(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline?
The InChIKey is OGTHSXCPINHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-15(8-2-3-8)9-4-6-10(7-5-9)16-11(12,13)14/h4-8H,2-3H2,1H3.
What are the key properties of N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline?
N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline has a molecular weight of 231.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 174736613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).