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

C17H18ClF3NO- — CID 44669843

IUPACN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
SMILESCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.[Cl-]
InChIInChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/p-1
InChIKeyGIYXAJPCNFJEHY-UHFFFAOYSA-M
MW344.78 g/mol
LogP1.44
Rot. Bonds6

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

N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride (PubChem CID 44669843) has the molecular formula C17H18ClF3NO- and a molecular weight of 344.78 g/mol. Its IUPAC name is N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride.

Molecular Properties

Compound NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
PubChem CID44669843
Molecular FormulaC17H18ClF3NO-
Molecular Weight344.78 g/mol
Exact Mass344.10
IUPAC NameN-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
SMILESCNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.[Cl-]
InChIInChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/p-1
InChIKeyGIYXAJPCNFJEHY-UHFFFAOYSA-M
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.78
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[4-(trifluoromethyl)phenoxy]-3-(3-tritiophenyl)propan-1-amine
CID 11758740
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764
1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
CID 15940193
(3R)-N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 57369117
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
(3S)-3-(4-iodophenoxy)-N-methyl-3-phenylpropan-1-amine
CID 10338938
3-phenyl-N-(pyridin-2-ylmethyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 71664025
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride?
The IUPAC name of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride (CID 44669843) is N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride.
What is the SMILES notation for N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride?
The canonical SMILES for N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride is CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.[Cl-].
What is the InChIKey of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride?
The InChIKey is GIYXAJPCNFJEHY-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18F3NO.ClH/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20;/h2-10,16,21H,11-12H2,1H3;1H/p-1.
What are the key properties of N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride?
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride has a molecular weight of 344.78 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride is sourced from PubChem (CID 44669843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).