2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine

C17H22FN3 — CID 62376760

IUPAC2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
SMILESCN(CCCNc1cc(F)ccc1N)Cc1ccccc1
InChIInChI=1S/C17H22FN3/c1-21(13-14-6-3-2-4-7-14)11-5-10-20-17-12-15(18)8-9-16(17)19/h2-4,6-9,12,20H,5,10-11,13,19H2,1H3
InChIKeyFTWZJFDKWVLRPL-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.34
Rot. Bonds7

About 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine

2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine (PubChem CID 62376760) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
PubChem CID62376760
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine
SMILESCN(CCCNc1cc(F)ccc1N)Cc1ccccc1
InChIInChI=1S/C17H22FN3/c1-21(13-14-6-3-2-4-7-14)11-5-10-20-17-12-15(18)8-9-16(17)19/h2-4,6-9,12,20H,5,10-11,13,19H2,1H3
InChIKeyFTWZJFDKWVLRPL-UHFFFAOYSA-N
XLogP3.34
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
N'-benzyl-N-(5-fluoropyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 115749884
2-N-[3-[benzyl(methyl)amino]propyl]pyridine-2,3-diamine
CID 28903560
N'-benzyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 54806556
2-N-[2-[cyclopropyl(methyl)amino]ethyl]-4-fluorobenzene-1,2-diamine
CID 62974996
N-[3-(2-amino-5-fluoroanilino)propyl]methanesulfonamide
CID 106333751
N'-benzyl-N-[2-(dimethylamino)ethyl]-N'-methylpropane-1,3-diamine
CID 28577551
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
4-[3-[benzyl(methyl)amino]propylamino]-5-bromo-1H-pyridazin-6-one
CID 115577028
2-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-2,5-diamine
CID 102767271
2-N-[3-[benzyl(methyl)amino]propyl]pyrimidine-2,4-diamine
CID 116795430
N-[3-[benzyl(methyl)amino]propyl]-3,5-difluorobenzenesulfonamide
CID 47015302

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine (CID 62376760) is 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine is CN(CCCNc1cc(F)ccc1N)Cc1ccccc1.
What is the InChIKey of 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine?
The InChIKey is FTWZJFDKWVLRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-21(13-14-6-3-2-4-7-14)11-5-10-20-17-12-15(18)8-9-16(17)19/h2-4,6-9,12,20H,5,10-11,13,19H2,1H3.
What are the key properties of 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine?
2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine has a molecular weight of 287.38 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-[benzyl(methyl)amino]propyl]-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 62376760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).