1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine

C14H16F4N2 — CID 155146590

IUPAC1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine
SMILESNC1(CNC2(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C14H16F4N2/c15-11-2-1-9(7-10(11)14(16,17)18)13(5-6-13)20-8-12(19)3-4-12/h1-2,7,20H,3-6,8,19H2
InChIKeyMDTBNPLKSBNKIT-UHFFFAOYSA-N
MW288.29 g/mol
LogP2.91
Rot. Bonds4

About 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine

1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine (PubChem CID 155146590) has the molecular formula C14H16F4N2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine
PubChem CID155146590
Molecular FormulaC14H16F4N2
Molecular Weight288.29 g/mol
Exact Mass288.12
IUPAC Name1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine
SMILESNC1(CNC2(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C14H16F4N2/c15-11-2-1-9(7-10(11)14(16,17)18)13(5-6-13)20-8-12(19)3-4-12/h1-2,7,20H,3-6,8,19H2
InChIKeyMDTBNPLKSBNKIT-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
(1S,2S)-(-)-N,N'-Dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethylenediamine
CID 7018190
(3,5-Bis-trifluoromethyl-benzyl)-[1-(methylamino-phenyl-methyl)-cyclopropyl]-amine
CID 10001148
1-[2-(methylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]azetidin-3-amine
CID 137636992
Benzenemethanamine, N-butyl-3-(trifluoromethyl)-
CID 485418
Benzenemethanamine, N-pentyl-3-(trifluoromethyl)-
CID 485419
(2-Amino-1-(3-(trifluoromethyl)phenyl)ethyl)dimethylamine
CID 16788367
2-[3,5-Bis(trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 44453719
2-[4-(Trifluoromethyl)phenyl]-1,4,7,10-tetrazacyclododecane
CID 44453744

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine (CID 155146590) is 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine is NC1(CNC2(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine?
The InChIKey is MDTBNPLKSBNKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2/c15-11-2-1-9(7-10(11)14(16,17)18)13(5-6-13)20-8-12(19)3-4-12/h1-2,7,20H,3-6,8,19H2.
What are the key properties of 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine?
1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine has a molecular weight of 288.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]amino]methyl]cyclopropan-1-amine is sourced from PubChem (CID 155146590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).