2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine

C14H15F2N3 — CID 112676639

IUPAC2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine
SMILESNCC(Cc1ccccc1)Nc1ncc(F)cc1F
InChIInChI=1S/C14H15F2N3/c15-11-7-13(16)14(18-9-11)19-12(8-17)6-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,17H2,(H,18,19)
InChIKeySHTDPIVUDNLWEH-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.34
Rot. Bonds5

About 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine

2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine (PubChem CID 112676639) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine
PubChem CID112676639
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine
SMILESNCC(Cc1ccccc1)Nc1ncc(F)cc1F
InChIInChI=1S/C14H15F2N3/c15-11-7-13(16)14(18-9-11)19-12(8-17)6-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,17H2,(H,18,19)
InChIKeySHTDPIVUDNLWEH-UHFFFAOYSA-N
XLogP2.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine
CID 65378979
3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 80828045
N-(1-chloro-3-phenylpropan-2-yl)-3-fluoropyridin-2-amine
CID 65028967
N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112676271
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
4-[(1-amino-3-phenylpropan-2-yl)amino]-5-iodo-1H-pyrimidin-6-one
CID 137008406
2-[(5-aminopyrimidin-4-yl)amino]-3-phenylpropan-1-ol
CID 79916251
2-N-(5-chloro-3-fluoro-2-pyridinyl)butane-1,2-diamine
CID 79728574
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
CID 80828721
N-(3,5-difluoro-2-pyridinyl)benzamide
CID 53404764
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine (CID 112676639) is 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine is NCC(Cc1ccccc1)Nc1ncc(F)cc1F.
What is the InChIKey of 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine?
The InChIKey is SHTDPIVUDNLWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c15-11-7-13(16)14(18-9-11)19-12(8-17)6-10-4-2-1-3-5-10/h1-5,7,9,12H,6,8,17H2,(H,18,19).
What are the key properties of 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine?
2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine has a molecular weight of 263.29 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 112676639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).