(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride

C10H14ClF3N2O — CID 171210172

IUPAC(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O.ClH/c11-10(12,13)16-8-3-1-2-7(6-8)9(15)4-5-14;/h1-3,6,9H,4-5,14-15H2;1H/t9-;/m1./s1
InChIKeySJVWBJXFPNDIJG-SBSPUUFOSA-N
MW270.68 g/mol
LogP2.36
Rot. Bonds4

About (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride

(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride (PubChem CID 171210172) has the molecular formula C10H14ClF3N2O and a molecular weight of 270.68 g/mol. Its IUPAC name is (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
PubChem CID171210172
Molecular FormulaC10H14ClF3N2O
Molecular Weight270.68 g/mol
Exact Mass270.07
IUPAC Name(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
SMILESCl.NCC[C@@H](N)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C10H13F3N2O.ClH/c11-10(12,13)16-8-3-1-2-7(6-8)9(15)4-5-14;/h1-3,6,9H,4-5,14-15H2;1H/t9-;/m1./s1
InChIKeySJVWBJXFPNDIJG-SBSPUUFOSA-N
XLogP2.36
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
1-[3-(trifluoromethoxy)phenyl]nonan-1-amine
CID 115854116
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885
3-(2-methoxyethoxy)-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 102927944
(1S)-1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pentane-1,5-diamine
CID 171228173
2-amino-1-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 122199367
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
4-thiophen-2-yl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145864
(1R)-1-[3-(difluoromethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171206110

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride?
The IUPAC name of (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride (CID 171210172) is (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride?
The canonical SMILES for (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride is Cl.NCC[C@@H](N)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride?
The InChIKey is SJVWBJXFPNDIJG-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13F3N2O.ClH/c11-10(12,13)16-8-3-1-2-7(6-8)9(15)4-5-14;/h1-3,6,9H,4-5,14-15H2;1H/t9-;/m1./s1.
What are the key properties of (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride?
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride has a molecular weight of 270.68 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 171210172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).