1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine

C15H26FN3O — CID 63597494

IUPAC1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCOc1cc(N(CCN(C)C)CC(C)C)c(N)cc1F
InChIInChI=1S/C15H26FN3O/c1-11(2)10-19(7-6-18(3)4)14-9-15(20-5)12(16)8-13(14)17/h8-9,11H,6-7,10,17H2,1-5H3
InChIKeyJPRJCJLTLHLPQX-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.44
Rot. Bonds7

About 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine

1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine (PubChem CID 63597494) has the molecular formula C15H26FN3O and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine
PubChem CID63597494
Molecular FormulaC15H26FN3O
Molecular Weight283.39 g/mol
Exact Mass283.21
IUPAC Name1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine
SMILESCOc1cc(N(CCN(C)C)CC(C)C)c(N)cc1F
InChIInChI=1S/C15H26FN3O/c1-11(2)10-19(7-6-18(3)4)14-9-15(20-5)12(16)8-13(14)17/h8-9,11H,6-7,10,17H2,1-5H3
InChIKeyJPRJCJLTLHLPQX-UHFFFAOYSA-N
XLogP2.44
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.44
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

4-bromo-2-N-[2-(dimethylamino)ethyl]-5-fluoro-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 116735743
2-[2-amino-4-fluoro-5-methoxy-N-(2-methylpropyl)anilino]acetamide
CID 63599950
4-chloro-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-(2-methylpropyl)benzene-1,2-diamine
CID 66077630
1-N-[3-(dimethylamino)propyl]-4-fluoro-5-methoxy-1-N-methylbenzene-1,2-diamine
CID 63695499
4,5-dimethoxy-2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)benzene-1,2-diamine
CID 83001129
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103187578
4-fluoro-5-methoxy-1-N,1-N-bis(2-methoxyethyl)benzene-1,2-diamine
CID 63597825
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-propoxy-1-N-propylbenzene-1,2-diamine
CID 63592798
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747555
4-(difluoromethoxy)-5-fluoro-2-N-methyl-2-N-(3-methylbutyl)benzene-1,2-diamine
CID 63592425
2-[2-amino-4-fluoro-N-(2-methylpropyl)-5-propoxyanilino]acetamide
CID 63591734
2-(2-amino-N-butyl-4-fluoro-5-methoxyanilino)acetamide
CID 55216070

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine?
The IUPAC name of 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine (CID 63597494) is 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine is COc1cc(N(CCN(C)C)CC(C)C)c(N)cc1F.
What is the InChIKey of 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine?
The InChIKey is JPRJCJLTLHLPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN3O/c1-11(2)10-19(7-6-18(3)4)14-9-15(20-5)12(16)8-13(14)17/h8-9,11H,6-7,10,17H2,1-5H3.
What are the key properties of 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine?
1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine has a molecular weight of 283.39 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methoxy-1-N-(2-methylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 63597494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).