2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine

C16H22N2O3 — CID 83004449

IUPAC2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(NC(C)CCc2ccco2)cc1OC
InChIInChI=1S/C16H22N2O3/c1-11(6-7-12-5-4-8-21-12)18-14-10-16(20-3)15(19-2)9-13(14)17/h4-5,8-11,18H,6-7,17H2,1-3H3
InChIKeyKNNIRNNGHULSDE-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.31
Rot. Bonds7

About 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine

2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine (PubChem CID 83004449) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
PubChem CID83004449
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine
SMILESCOc1cc(N)c(NC(C)CCc2ccco2)cc1OC
InChIInChI=1S/C16H22N2O3/c1-11(6-7-12-5-4-8-21-12)18-14-10-16(20-3)15(19-2)9-13(14)17/h4-5,8-11,18H,6-7,17H2,1-3H3
InChIKeyKNNIRNNGHULSDE-UHFFFAOYSA-N
XLogP3.31
TPSA69.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.31
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

N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969
5-[4-(furan-2-yl)butan-2-ylamino]-2-methoxyphenol
CID 43743871
3-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43729965
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
methyl 2-amino-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 115545394
N-[4-(furan-2-yl)butan-2-yl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 62860172
N-[4-(furan-2-yl)butan-2-yl]-3-methoxy-4-nitroaniline
CID 63670300
[2-[4-(furan-2-yl)butan-2-ylamino]phenyl]methanol
CID 43743342
4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107609511
methyl 4-fluoro-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 43684512
4-ethoxy-N-[4-(furan-2-yl)butan-2-yl]-2-methylaniline
CID 60935377

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine?
The IUPAC name of 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine (CID 83004449) is 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine is COc1cc(N)c(NC(C)CCc2ccco2)cc1OC.
What is the InChIKey of 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine?
The InChIKey is KNNIRNNGHULSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(6-7-12-5-4-8-21-12)18-14-10-16(20-3)15(19-2)9-13(14)17/h4-5,8-11,18H,6-7,17H2,1-3H3.
What are the key properties of 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine?
2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine has a molecular weight of 290.36 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(furan-2-yl)butan-2-yl]-4,5-dimethoxybenzene-1,2-diamine is sourced from PubChem (CID 83004449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).