N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine

C12H19FN2 — CID 59230672

IUPACN'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
SMILESCc1ccc(NCCCCCN)cc1F
InChIInChI=1S/C12H19FN2/c1-10-5-6-11(9-12(10)13)15-8-4-2-3-7-14/h5-6,9,15H,2-4,7-8,14H2,1H3
InChIKeyZBGQSAIQMRBLID-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.68
Rot. Bonds6

About N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine

N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine (PubChem CID 59230672) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
PubChem CID59230672
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC NameN'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine
SMILESCc1ccc(NCCCCCN)cc1F
InChIInChI=1S/C12H19FN2/c1-10-5-6-11(9-12(10)13)15-8-4-2-3-7-14/h5-6,9,15H,2-4,7-8,14H2,1H3
InChIKeyZBGQSAIQMRBLID-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-3-fluoro-4-methylaniline
CID 63488478
N'-(3,4-dimethylphenyl)butane-1,4-diamine
CID 94253623
N'-(3,4-difluorophenyl)butane-1,4-diamine
CID 83953114
N'-(3-chloro-4-methylphenyl)butane-1,4-diamine
CID 94256638
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
N'-tert-butyl-N-(3-fluoro-4-methylphenyl)ethane-1,2-diamine
CID 107444586
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
4-N-(6-aminohexyl)benzene-1,4-diamine
CID 150601904
N'-(4-propan-2-ylphenyl)hexane-1,6-diamine
CID 83952205
N'-(1,3-dimethyl-2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59230700
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine (CID 59230672) is N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine is Cc1ccc(NCCCCCN)cc1F.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine?
The InChIKey is ZBGQSAIQMRBLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2/c1-10-5-6-11(9-12(10)13)15-8-4-2-3-7-14/h5-6,9,15H,2-4,7-8,14H2,1H3.
What are the key properties of N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine?
N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine has a molecular weight of 210.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 59230672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).