N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine

C18H18F3NO — CID 63319851

IUPACN-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cc(CNC2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C18H18F3NO/c19-18(20,21)16-10-14(11-22-15-7-8-15)6-9-17(16)23-12-13-4-2-1-3-5-13/h1-6,9-10,15,22H,7-8,11-12H2
InChIKeyOQJNSMUYIFNSGM-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.54
Rot. Bonds6

About N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine

N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine (PubChem CID 63319851) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
PubChem CID63319851
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
SMILESFC(F)(F)c1cc(CNC2CC2)ccc1OCc1ccccc1
InChIInChI=1S/C18H18F3NO/c19-18(20,21)16-10-14(11-22-15-7-8-15)6-9-17(16)23-12-13-4-2-1-3-5-13/h1-6,9-10,15,22H,7-8,11-12H2
InChIKeyOQJNSMUYIFNSGM-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(cyclopropylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63319679
N-[(3-bromo-4-phenylmethoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17158503
N-[[3-(3-methoxypropoxy)-4-phenylmethoxyphenyl]methyl]cyclopropanamine
CID 59494923
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509612
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 63499588
4-[(cyclobutylamino)methyl]-2-(trifluoromethyl)phenol
CID 117219993
N-[[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62452280
1-benzyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-amine;ethane
CID 142128624
N-[(4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 4723001
4-[(4-phenylmethoxyphenyl)methylamino]cyclohexan-1-ol
CID 163349895
N-[(3-fluoro-4-phenoxyphenyl)methyl]cyclopropanamine
CID 43283191
N-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 17057050

Frequently Asked Questions

What is the IUPAC name of N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine (CID 63319851) is N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine is FC(F)(F)c1cc(CNC2CC2)ccc1OCc1ccccc1.
What is the InChIKey of N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
The InChIKey is OQJNSMUYIFNSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c19-18(20,21)16-10-14(11-22-15-7-8-15)6-9-17(16)23-12-13-4-2-1-3-5-13/h1-6,9-10,15,22H,7-8,11-12H2.
What are the key properties of N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine?
N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine has a molecular weight of 321.34 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-phenylmethoxy-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 63319851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).