[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride

C12H12ClF6N — CID 171922490

IUPAC[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
SMILESCl.NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H11F6N.ClH/c13-11(14,15)8-3-7(10(19)6-1-2-6)4-9(5-8)12(16,17)18;/h3-6,10H,1-2,19H2;1H
InChIKeyRGOZBBDSTQNRGD-UHFFFAOYSA-N
MW319.68 g/mol
LogP4.56
Rot. Bonds2

About [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride

[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride (PubChem CID 171922490) has the molecular formula C12H12ClF6N and a molecular weight of 319.68 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
PubChem CID171922490
Molecular FormulaC12H12ClF6N
Molecular Weight319.68 g/mol
Exact Mass319.06
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride
SMILESCl.NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C12H11F6N.ClH/c13-11(14,15)8-3-7(10(19)6-1-2-6)4-9(5-8)12(16,17)18;/h3-6,10H,1-2,19H2;1H
InChIKeyRGOZBBDSTQNRGD-UHFFFAOYSA-N
XLogP4.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.68
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride 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

cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 138986249
(S)-cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 131485190
3-[amino(cyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 130145934
[3,5-bis(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine
CID 118086233
(S)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171227973
(S)-cyclopropyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 112756156
(R)-cyclopropyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171208388
(R)-cyclopropyl-[5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 124518707
(R)-cyclobutyl-[3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 171206809
(R)-[3-bromo-5-(trifluoromethyl)phenyl]-piperidin-4-ylmethanamine
CID 171314429
(S)-cyclohexyl-[3-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171227976
(1R,2S)-2-amino-2-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylethanol;hydrochloride
CID 171161877

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride (CID 171922490) is [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride is Cl.NC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
The InChIKey is RGOZBBDSTQNRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N.ClH/c13-11(14,15)8-3-7(10(19)6-1-2-6)4-9(5-8)12(16,17)18;/h3-6,10H,1-2,19H2;1H.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride?
[3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride has a molecular weight of 319.68 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-cyclopropylmethanamine;hydrochloride is sourced from PubChem (CID 171922490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).