(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine

C12H17F3N2 — CID 104868043

IUPAC(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
SMILESC[C@H](CN)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2/c1-9(8-16)17-7-6-10-2-4-11(5-3-10)12(13,14)15/h2-5,9,17H,6-8,16H2,1H3/t9-/m1/s1
InChIKeyUWVSFJQBKLJRQM-SECBINFHSA-N
MW246.28 g/mol
LogP2.18
Rot. Bonds5

About (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine

(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine (PubChem CID 104868043) has the molecular formula C12H17F3N2 and a molecular weight of 246.28 g/mol. Its IUPAC name is (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
PubChem CID104868043
Molecular FormulaC12H17F3N2
Molecular Weight246.28 g/mol
Exact Mass246.13
IUPAC Name(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
SMILESC[C@H](CN)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H17F3N2/c1-9(8-16)17-7-6-10-2-4-11(5-3-10)12(13,14)15/h2-5,9,17H,6-8,16H2,1H3/t9-/m1/s1
InChIKeyUWVSFJQBKLJRQM-SECBINFHSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-ethyl-1-N-methyl-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine
CID 103109766
2-N-(2-naphthalen-2-ylethyl)propane-1,2-diamine
CID 113407203
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
4-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 78768780
4,4,4-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 103776427
2-[4-(trifluoromethyl)phenyl]ethylcyanamide
CID 162536866
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
4-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 83188266
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine (CID 104868043) is (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine is C[C@H](CN)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
The InChIKey is UWVSFJQBKLJRQM-SECBINFHSA-N. The full InChI is InChI=1S/C12H17F3N2/c1-9(8-16)17-7-6-10-2-4-11(5-3-10)12(13,14)15/h2-5,9,17H,6-8,16H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine?
(2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine has a molecular weight of 246.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propane-1,2-diamine is sourced from PubChem (CID 104868043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).