1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine

C14H24FN3O — CID 103187578

IUPAC1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine
SMILESCCN(c1cc(OC)c(F)cc1N)C(C)CN(C)C
InChIInChI=1S/C14H24FN3O/c1-6-18(10(2)9-17(3)4)13-8-14(19-5)11(15)7-12(13)16/h7-8,10H,6,9,16H2,1-5H3
InChIKeyFHHANBJUCNPAHR-UHFFFAOYSA-N
MW269.36 g/mol
LogP2.19
Rot. Bonds6

About 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine

1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine (PubChem CID 103187578) has the molecular formula C14H24FN3O and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine
PubChem CID103187578
Molecular FormulaC14H24FN3O
Molecular Weight269.36 g/mol
Exact Mass269.19
IUPAC Name1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine
SMILESCCN(c1cc(OC)c(F)cc1N)C(C)CN(C)C
InChIInChI=1S/C14H24FN3O/c1-6-18(10(2)9-17(3)4)13-8-14(19-5)11(15)7-12(13)16/h7-8,10H,6,9,16H2,1-5H3
InChIKeyFHHANBJUCNPAHR-UHFFFAOYSA-N
XLogP2.19
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 63597494
1-N-[3-(dimethylamino)propyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63695499
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
1-N-[(4-ethylphenyl)methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63600105
4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 63597825
4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
2-fluoro-5-methoxy-1-N-methyl-1-N-pentan-3-ylbenzene-1,4-diamine
CID 107258820
2-N-[2-(bromomethyl)-4-fluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107085529
2,5-difluoro-4-methoxyaniline
CID 45090681
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 105414098
2-N-[4-(bromomethyl)-2,6-difluorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 107085530

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine?
The IUPAC name of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine (CID 103187578) is 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine?
The canonical SMILES for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine is CCN(c1cc(OC)c(F)cc1N)C(C)CN(C)C.
What is the InChIKey of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine?
The InChIKey is FHHANBJUCNPAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3O/c1-6-18(10(2)9-17(3)4)13-8-14(19-5)11(15)7-12(13)16/h7-8,10H,6,9,16H2,1-5H3.
What are the key properties of 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine?
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine has a molecular weight of 269.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine is sourced from PubChem (CID 103187578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).