4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine

C15H25N3O2 — CID 83007891

IUPAC4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine
SMILESCOc1cc(N)c(NCC(C)N2CCCC2)cc1OC
InChIInChI=1S/C15H25N3O2/c1-11(18-6-4-5-7-18)10-17-13-9-15(20-3)14(19-2)8-12(13)16/h8-9,11,17H,4-7,10,16H2,1-3H3
InChIKeyUIFSJWWUDFUCFQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.18
Rot. Bonds6

About 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine

4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine (PubChem CID 83007891) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine
PubChem CID83007891
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine
SMILESCOc1cc(N)c(NCC(C)N2CCCC2)cc1OC
InChIInChI=1S/C15H25N3O2/c1-11(18-6-4-5-7-18)10-17-13-9-15(20-3)14(19-2)8-12(13)16/h8-9,11,17H,4-7,10,16H2,1-3H3
InChIKeyUIFSJWWUDFUCFQ-UHFFFAOYSA-N
XLogP2.18
TPSA59.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
CID 83005355
2-N-(cyclobutylmethyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83001680
4-methoxy-2-(2-piperidin-1-ylpropylamino)benzonitrile
CID 81299428
4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 81300803
4,5-dimethoxy-2-N-(2-methyl-2-methylsulfonylpropyl)benzene-1,2-diamine
CID 83008502
2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
CID 63736165
4-fluoro-5-methoxy-1-N-(2-methoxypropyl)benzene-1,2-diamine
CID 102694545
4-fluoro-5-methoxy-1-N-(2-methylbutyl)benzene-1,2-diamine
CID 63597325
1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
CID 103078748
1-N-(2,4,5-trimethoxyphenyl)propane-1,2-diamine
CID 115196333
3-N-(2-piperidin-1-ylpropyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739984
3,4-dimethoxy-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzenesulfonamide
CID 93157622

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine?
The IUPAC name of 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine (CID 83007891) is 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine?
The canonical SMILES for 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine is COc1cc(N)c(NCC(C)N2CCCC2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine?
The InChIKey is UIFSJWWUDFUCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(18-6-4-5-7-18)10-17-13-9-15(20-3)14(19-2)8-12(13)16/h8-9,11,17H,4-7,10,16H2,1-3H3.
What are the key properties of 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine?
4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine has a molecular weight of 279.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-N-(2-pyrrolidin-1-ylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 83007891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).