2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine

C15H17FN2 — CID 65378979

IUPAC2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine
SMILESNCC(Cc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H17FN2/c16-14-8-4-5-9-15(14)18-13(11-17)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11,17H2
InChIKeyBFFCGPIODMBMTQ-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.81
Rot. Bonds5

About 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine

2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine (PubChem CID 65378979) has the molecular formula C15H17FN2 and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine
PubChem CID65378979
Molecular FormulaC15H17FN2
Molecular Weight244.31 g/mol
Exact Mass244.14
IUPAC Name2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine
SMILESNCC(Cc1ccccc1)Nc1ccccc1F
InChIInChI=1S/C15H17FN2/c16-14-8-4-5-9-15(14)18-13(11-17)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11,17H2
InChIKeyBFFCGPIODMBMTQ-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine
CID 112676639
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
1-cyclopropyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377112
tert-butyl N-[3-amino-2-(2-fluoroanilino)propyl]carbamate
CID 102730244
2-N-cyclopropyl-3-phenylpropane-1,2-diamine
CID 62070151
2-N-(3-methoxyphenyl)-3-phenylpropane-1,2-diamine
CID 65376487
N-(2-fluorophenyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 65378148
N-bromo-2-fluoroaniline
CID 53446576
N-(1-amino-3-phenylpropan-2-yl)-2,4-difluorobenzamide
CID 63754320
2-(2-amino-5-fluoro-4-iodoanilino)-3-phenylpropan-1-ol
CID 66101497
2-N-(2,6-dimethylpyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 63760552
2-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-phenylpropane-1,2-diamine
CID 65168876

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine?
The IUPAC name of 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine (CID 65378979) is 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine?
The canonical SMILES for 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine is NCC(Cc1ccccc1)Nc1ccccc1F.
What is the InChIKey of 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine?
The InChIKey is BFFCGPIODMBMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2/c16-14-8-4-5-9-15(14)18-13(11-17)10-12-6-2-1-3-7-12/h1-9,13,18H,10-11,17H2.
What are the key properties of 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine?
2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine has a molecular weight of 244.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-fluorophenyl)-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 65378979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).