2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine

C13H17F3N2 — CID 106219295

IUPAC2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine
SMILESCC(N)(CNC1(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C13H17F3N2/c1-11(17,10-5-3-2-4-6-10)9-18-12(7-8-12)13(14,15)16/h2-6,18H,7-9,17H2,1H3
InChIKeyUCIBQHUYSAVBJX-UHFFFAOYSA-N
MW258.29 g/mol
LogP2.55
Rot. Bonds4

About 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine

2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine (PubChem CID 106219295) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine
PubChem CID106219295
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine
SMILESCC(N)(CNC1(C(F)(F)F)CC1)c1ccccc1
InChIInChI=1S/C13H17F3N2/c1-11(17,10-5-3-2-4-6-10)9-18-12(7-8-12)13(14,15)16/h2-6,18H,7-9,17H2,1H3
InChIKeyUCIBQHUYSAVBJX-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3-ethylpentan-3-yl)-2-phenylpropane-1,2-diamine
CID 65041408
1-N-(cyclopropylmethyl)-2-phenylpropane-1,2-diamine
CID 62487396
N-[(4-phenylphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106209965
N-[(5-phenylthiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210126
N-[(2-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210231
N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
CID 83684635
1-phenyl-N-propyl-4-(trifluoromethyl)piperidin-4-amine
CID 106821027
1-N'-methyl-1-phenylethane-1,1-diamine
CID 143337584
[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol
CID 116789339
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
1-N-(2,2-dimethylpropyl)-1-N-methyl-2-phenylpropane-1,2-diamine
CID 62488447

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine?
The IUPAC name of 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine (CID 106219295) is 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine.
What is the SMILES notation for 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine?
The canonical SMILES for 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine is CC(N)(CNC1(C(F)(F)F)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine?
The InChIKey is UCIBQHUYSAVBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-11(17,10-5-3-2-4-6-10)9-18-12(7-8-12)13(14,15)16/h2-6,18H,7-9,17H2,1H3.
What are the key properties of 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine?
2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine has a molecular weight of 258.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-N-[1-(trifluoromethyl)cyclopropyl]propane-1,2-diamine is sourced from PubChem (CID 106219295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).