2-fluoro-N'-phenylpropane-1,3-diamine

C9H13FN2 — CID 105433807

IUPAC2-fluoro-N'-phenylpropane-1,3-diamine
SMILESNCC(F)CNc1ccccc1
InChIInChI=1S/C9H13FN2/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7,11H2
InChIKeyWPISVJAYEWTVEH-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.40
Rot. Bonds4

About 2-fluoro-N'-phenylpropane-1,3-diamine

2-fluoro-N'-phenylpropane-1,3-diamine (PubChem CID 105433807) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-fluoro-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound Name2-fluoro-N'-phenylpropane-1,3-diamine
PubChem CID105433807
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name2-fluoro-N'-phenylpropane-1,3-diamine
SMILESNCC(F)CNc1ccccc1
InChIInChI=1S/C9H13FN2/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7,11H2
InChIKeyWPISVJAYEWTVEH-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-anilinoethanol
CID 54286676
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N'-(3,4-dimethylphenyl)-2-fluoropropane-1,3-diamine;ethane
CID 145194727
1-anilino-3-chloropropan-2-ol
CID 3640254
(2R)-2-fluoro-3-phenylpropan-1-amine
CID 69274217
ethane;N'-phenylethane-1,2-diamine
CID 91048519
3-anilino-2-methylpropanethioamide
CID 82075999
1-anilino-3,3-dimethylbutan-2-ol
CID 10607819
(2R)-3-methyl-1-N-phenylbutane-1,2-diamine
CID 89354678
1-[4-(difluoromethyl)phenyl]-N-phenylethane-1,2-diamine
CID 115524370
4-anilino-3-(methylamino)butan-1-ol
CID 13023607
N-(2-bromopropyl)aniline
CID 13183607

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-phenylpropane-1,3-diamine?
The IUPAC name of 2-fluoro-N'-phenylpropane-1,3-diamine (CID 105433807) is 2-fluoro-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for 2-fluoro-N'-phenylpropane-1,3-diamine?
The canonical SMILES for 2-fluoro-N'-phenylpropane-1,3-diamine is NCC(F)CNc1ccccc1.
What is the InChIKey of 2-fluoro-N'-phenylpropane-1,3-diamine?
The InChIKey is WPISVJAYEWTVEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-8(6-11)7-12-9-4-2-1-3-5-9/h1-5,8,12H,6-7,11H2.
What are the key properties of 2-fluoro-N'-phenylpropane-1,3-diamine?
2-fluoro-N'-phenylpropane-1,3-diamine has a molecular weight of 168.22 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 2-fluoro-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 105433807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).