2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine

C11H18FN3 — CID 82508306

IUPAC2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(C)c1cc(CN)c(N)cc1F
InChIInChI=1S/C11H18FN3/c1-7(2)15(3)11-4-8(6-13)10(14)5-9(11)12/h4-5,7H,6,13-14H2,1-3H3
InChIKeyLCHWKEUGYHWRCY-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.71
Rot. Bonds3

About 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine

2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine (PubChem CID 82508306) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine
PubChem CID82508306
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine
SMILESCC(C)N(C)c1cc(CN)c(N)cc1F
InChIInChI=1S/C11H18FN3/c1-7(2)15(3)11-4-8(6-13)10(14)5-9(11)12/h4-5,7H,6,13-14H2,1-3H3
InChIKeyLCHWKEUGYHWRCY-UHFFFAOYSA-N
XLogP1.71
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-6-fluoro-N-methyl-N-propan-2-ylaniline
CID 82505630
2-fluoro-N-methyl-4-(2-methylpropyl)-N-propan-2-ylaniline
CID 155088151
3-(aminomethyl)-N-methyl-N-propan-2-ylpyridin-4-amine
CID 81249725
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
2-(2-aminoethyl)-4-chloro-N-methyl-N-propan-2-ylaniline
CID 114860357
3,4-difluoro-2-N-methyl-2-N-propan-2-ylbenzene-1,2-diamine
CID 62533650
2-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylbutyl)aniline
CID 61429251
4-(aminomethyl)-3-fluoro-N-methyl-N-(4-methylpentan-2-yl)aniline
CID 113295417
ethyl 2-amino-5-[3,3-dimethylbutan-2-yl(methyl)amino]-4-fluorobenzoate
CID 63423710
3-(aminomethyl)-N-[4-(dimethylamino)butan-2-yl]-4-fluorobenzenesulfonamide
CID 63289077
2-fluoro-N-methyl-4-[1-(methylamino)ethyl]-N-propan-2-ylaniline
CID 43284213
2-fluoro-4-N-(1-methoxypropan-2-yl)-1-N-methyl-1-N-propan-2-ylbenzene-1,4-diamine
CID 62536605

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine?
The IUPAC name of 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine (CID 82508306) is 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine is CC(C)N(C)c1cc(CN)c(N)cc1F.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine?
The InChIKey is LCHWKEUGYHWRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-7(2)15(3)11-4-8(6-13)10(14)5-9(11)12/h4-5,7H,6,13-14H2,1-3H3.
What are the key properties of 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine?
2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine has a molecular weight of 211.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-4-N-methyl-4-N-propan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 82508306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).