N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C14H18F3NO — CID 65419758

IUPACN-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)C1CC1C
InChIInChI=1S/C14H18F3NO/c1-3-18-13(12-7-9(12)2)10-5-4-6-11(8-10)19-14(15,16)17/h4-6,8-9,12-13,18H,3,7H2,1-2H3
InChIKeyRIVGQUYSFUQDEQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.89
Rot. Bonds5

About N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 65419758) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID65419758
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)C1CC1C
InChIInChI=1S/C14H18F3NO/c1-3-18-13(12-7-9(12)2)10-5-4-6-11(8-10)19-14(15,16)17/h4-6,8-9,12-13,18H,3,7H2,1-2H3
InChIKeyRIVGQUYSFUQDEQ-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-methylcyclopentyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 107188682
N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108
N-[(3-cyclopropyloxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191373
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
N-(2-ethylbutyl)-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107104687
N-ethyl-1-[3-(trifluoromethoxy)phenyl]heptan-1-amine
CID 115854011
3-(ethylamino)-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 107105283
N-[thiolan-3-yl-[3-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 105145863
N-[(3-methoxyphenyl)-(3-methylcyclopentyl)methyl]ethanamine
CID 65415595
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
N-[(2,6-difluorophenyl)-(2-methylcyclopropyl)methyl]ethanamine
CID 65419554
N-[cyclopropyl-(3-methoxyphenyl)methyl]ethanamine
CID 60820098

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 65419758) is N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1cccc(OC(F)(F)F)c1)C1CC1C.
What is the InChIKey of N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is RIVGQUYSFUQDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-3-18-13(12-7-9(12)2)10-5-4-6-11(8-10)19-14(15,16)17/h4-6,8-9,12-13,18H,3,7H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 65419758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).