1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine

C14H18F4N2 — CID 155146323

IUPAC1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNC1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F4N2/c1-12(2,19)8-20-13(5-6-13)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7,20H,5-6,8,19H2,1-2H3
InChIKeyXZYJQRSSCNPXAQ-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.16
Rot. Bonds4

About 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine

1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine (PubChem CID 155146323) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
PubChem CID155146323
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(N)CNC1(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F4N2/c1-12(2,19)8-20-13(5-6-13)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7,20H,5-6,8,19H2,1-2H3
InChIKeyXZYJQRSSCNPXAQ-UHFFFAOYSA-N
XLogP3.16
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fenfluramine
CID 3337
Dexfenfluramine
CID 66265
Levofenfluramine
CID 65801
1-(p-Fluorophenyl)-N-methylcyclohexylamine
CID 97168
1-(3-(Trifluoromethyl)benzyl)piperazine
CID 2060855
1-N-(cyclopropylmethyl)-1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine
CID 155146223
N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]methanesulfonamide
CID 155146424
methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
CID 155699161
1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
CID 162371808
1-N-cyclopropyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
CID 162371815
Phenethylamine, N-benzyl-alpha-methyl-m-trifluoromethyl-
CID 3046410
N,N-Diethyl-N'-(4'-trifluoromethylbiphenyl-4-ylmethyl)-ethane-1,2-diamine
CID 11233414

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine (CID 155146323) is 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine is CC(C)(N)CNC1(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
The InChIKey is XZYJQRSSCNPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-12(2,19)8-20-13(5-6-13)9-3-4-11(15)10(7-9)14(16,17)18/h3-4,7,20H,5-6,8,19H2,1-2H3.
What are the key properties of 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine?
1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine has a molecular weight of 290.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 155146323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).