3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

C14H18F3NO — CID 12774539

IUPAC3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCNCCC(Oc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F3NO/c1-18-9-8-13(10-2-3-10)19-12-6-4-11(5-7-12)14(15,16)17/h4-7,10,13,18H,2-3,8-9H2,1H3
InChIKeyINAZXCPDPCPNQF-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.47
Rot. Bonds6

About 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 12774539) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID12774539
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCNCCC(Oc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C14H18F3NO/c1-18-9-8-13(10-2-3-10)19-12-6-4-11(5-7-12)14(15,16)17/h4-7,10,13,18H,2-3,8-9H2,1H3
InChIKeyINAZXCPDPCPNQF-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-methyl-3-[4-(trifluoromethyl)phenoxy]hexan-1-amine
CID 69455400
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
tert-butyl 3-[(1S)-2-(methylamino)-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 67775565
3-[(1R)-3-methylsulfonyl-1-[4-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 56960764
(3R)-N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 57369117
3-[(1R)-2-ethylsulfanyl-1-[4-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 66861082
3-(6-methoxynaphthalen-2-yl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 159228228
N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740
1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene
CID 12774541
N-[2-[4-(trifluoromethyl)phenoxy]pentyl]cyclopropanamine
CID 83044258
(3S)-3-[(3R)-pyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenoxy]propane-1-sulfonamide
CID 140583207
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine (CID 12774539) is 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is CNCCC(Oc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is INAZXCPDPCPNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-18-9-8-13(10-2-3-10)19-12-6-4-11(5-7-12)14(15,16)17/h4-7,10,13,18H,2-3,8-9H2,1H3.
What are the key properties of 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine?
3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 12774539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).