N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine

C14H18F3NO — CID 55083756

IUPACN-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-10(9-18-12-4-5-12)8-11-2-6-13(7-3-11)19-14(15,16)17/h2-3,6-7,10,12,18H,4-5,8-9H2,1H3
InChIKeyKMOQXELPOAJUNX-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.52
Rot. Bonds6

About N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine

N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine (PubChem CID 55083756) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
PubChem CID55083756
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c1-10(9-18-12-4-5-12)8-11-2-6-13(7-3-11)19-14(15,16)17/h2-3,6-7,10,12,18H,4-5,8-9H2,1H3
InChIKeyKMOQXELPOAJUNX-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 62529892
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
1-(4-chloro-2-methylpentyl)-4-(trifluoromethoxy)benzene
CID 64720793
1-(cyclopropylamino)-2-methyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 66038452
N-[3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-methylpropyl]cyclopropanamine
CID 102714913
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43216489
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]cyclohexanamine
CID 126728159
N-[2-methyl-3-(6-methyl-3-pyridinyl)propyl]cyclopropanamine
CID 64666694
N-methyl-3-[[4-(trifluoromethoxy)phenyl]methyl]cyclopentan-1-amine
CID 64505434
N-(4-propan-2-ylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 63422574
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CID 65331754

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine (CID 55083756) is N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine is CC(CNC1CC1)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine?
The InChIKey is KMOQXELPOAJUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(9-18-12-4-5-12)8-11-2-6-13(7-3-11)19-14(15,16)17/h2-3,6-7,10,12,18H,4-5,8-9H2,1H3.
What are the key properties of N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine?
N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine has a molecular weight of 273.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[4-(trifluoromethoxy)phenyl]propyl]cyclopropanamine is sourced from PubChem (CID 55083756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).