(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine

C10H14F2N2 — CID 104868144

IUPAC(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2/c1-7(5-13)14-6-8-4-9(11)2-3-10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyOGICYRIHKWPJFI-SSDOTTSWSA-N
MW200.23 g/mol
LogP1.40
Rot. Bonds4

About (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine

(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine (PubChem CID 104868144) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
PubChem CID104868144
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine
SMILESC[C@H](CN)NCc1cc(F)ccc1F
InChIInChI=1S/C10H14F2N2/c1-7(5-13)14-6-8-4-9(11)2-3-10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1
InChIKeyOGICYRIHKWPJFI-SSDOTTSWSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(2,5-difluorophenyl)methyl]butan-2-amine
CID 93284909
N-[(2,5-difluorophenyl)methyl]hexan-2-amine
CID 62196749
(2R)-2-N-[(4-chloro-2-fluorophenyl)methyl]propane-1,2-diamine
CID 104868033
3-[(2,5-difluorophenyl)methylamino]-2-methylbutan-1-ol
CID 111448600
N-[(2S)-1-aminopropan-2-yl]-2-(2,5-difluorophenyl)acetamide;hydrochloride
CID 120507911
1-(2,5-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43674183
(2R)-2-N-[(4-chloro-2,5-difluorophenyl)methyl]propane-1,2-diamine
CID 104867950
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
(2R)-2-N-[(2,4,6-trifluorophenyl)methyl]propane-1,2-diamine
CID 104868200
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
1-cyclopentyl-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794443

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine?
The IUPAC name of (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine (CID 104868144) is (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine.
What is the SMILES notation for (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine?
The canonical SMILES for (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine is C[C@H](CN)NCc1cc(F)ccc1F.
What is the InChIKey of (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine?
The InChIKey is OGICYRIHKWPJFI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-7(5-13)14-6-8-4-9(11)2-3-10(8)12/h2-4,7,14H,5-6,13H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine?
(2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine has a molecular weight of 200.23 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[(2,5-difluorophenyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 104868144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).