N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine

C13H21FN2 — CID 62437244

IUPACN-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)c1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-3-15-9-4-5-10-16(2)13-8-6-7-12(14)11-13/h6-8,11,15H,3-5,9-10H2,1-2H3
InChIKeyFJSKYDSWHBEOJP-UHFFFAOYSA-N
MW224.32 g/mol
LogP2.65
Rot. Bonds7

About N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine

N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine (PubChem CID 62437244) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
PubChem CID62437244
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC NameN-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine
SMILESCCNCCCCN(C)c1cccc(F)c1
InChIInChI=1S/C13H21FN2/c1-3-15-9-4-5-10-16(2)13-8-6-7-12(14)11-13/h6-8,11,15H,3-5,9-10H2,1-2H3
InChIKeyFJSKYDSWHBEOJP-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
5-(3-fluoro-N-methylanilino)pentanehydrazide
CID 63583475
3-(3-fluoro-N-methylanilino)propanal
CID 63041284
N-tert-butyl-N'-ethyl-N'-(3-fluorophenyl)butane-1,4-diamine
CID 62428482
2-amino-6-(3-fluoro-N-methylanilino)-2-methylhexan-1-ol
CID 64791344
6-(3-fluoro-N-methylanilino)-2,2-dimethylhexanenitrile
CID 106709977
2-ethyl-2-(ethylamino)-5-(3-fluoro-N-methylanilino)pentanoic acid
CID 106806123
N'-methyl-N'-(3-methylphenyl)-N-prop-2-enylbutane-1,4-diamine
CID 23460287
N-(2-fluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55089108
4-(3-fluoro-N-methylanilino)-2-(propylamino)butan-1-ol
CID 64791342
N-ethyl-N'-(3-fluorophenyl)-N'-methyl-1-phenylpropane-1,3-diamine
CID 62613117
N-(chloromethyl)-3-fluoro-N-methylaniline
CID 115262926

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine (CID 62437244) is N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine is CCNCCCCN(C)c1cccc(F)c1.
What is the InChIKey of N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is FJSKYDSWHBEOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-3-15-9-4-5-10-16(2)13-8-6-7-12(14)11-13/h6-8,11,15H,3-5,9-10H2,1-2H3.
What are the key properties of N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine?
N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 224.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-fluorophenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62437244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).