2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine

C13H21FN2O — CID 107258820

IUPAC2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)N(C)c1cc(OC)c(N)cc1F
InChIInChI=1S/C13H21FN2O/c1-5-9(6-2)16(3)12-8-13(17-4)11(15)7-10(12)14/h7-9H,5-6,15H2,1-4H3
InChIKeyVFWGKCVSWYMYKE-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.04
Rot. Bonds5

About 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine

2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine (PubChem CID 107258820) has the molecular formula C13H21FN2O and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
PubChem CID107258820
Molecular FormulaC13H21FN2O
Molecular Weight240.32 g/mol
Exact Mass240.16
IUPAC Name2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
SMILESCCC(CC)N(C)c1cc(OC)c(N)cc1F
InChIInChI=1S/C13H21FN2O/c1-5-9(6-2)16(3)12-8-13(17-4)11(15)7-10(12)14/h7-9H,5-6,15H2,1-4H3
InChIKeyVFWGKCVSWYMYKE-UHFFFAOYSA-N
XLogP3.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-N-(4-fluorophenyl)-5-methoxy-1-N-methylbenzene-1,4-diamine
CID 107259108
2-(4-amino-2-fluoro-5-methoxy-N-methylanilino)acetic acid
CID 107259139
2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 107259012
2-fluoro-5-methoxy-1-N-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,4-diamine
CID 107258801
2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
1-N-cyclopropyl-2-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 107259031
3-(4-amino-N-ethyl-2-fluoro-5-methoxyanilino)propanenitrile
CID 107259021
5-fluoro-2-methoxy-4-propylsulfanylaniline
CID 107260157
2-fluoro-5-methoxy-1-N-methyl-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 107258842
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103187578
1-N-[(4-ethylphenyl)methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63600105
2-bromo-1-N,1-N-diethyl-5-methoxybenzene-1,4-diamine
CID 169490482

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine?
The IUPAC name of 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine (CID 107258820) is 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine?
The canonical SMILES for 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine is CCC(CC)N(C)c1cc(OC)c(N)cc1F.
What is the InChIKey of 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine?
The InChIKey is VFWGKCVSWYMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O/c1-5-9(6-2)16(3)12-8-13(17-4)11(15)7-10(12)14/h7-9H,5-6,15H2,1-4H3.
What are the key properties of 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine?
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine has a molecular weight of 240.32 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine is sourced from PubChem (CID 107258820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).