2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine

C12H20N2O2 — CID 23316326

IUPAC2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine
SMILESCCC(COC)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-4-9(8-15-2)14-10-5-6-11(13)12(7-10)16-3/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyFUNOPMUGSNCNQO-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.11
Rot. Bonds6

About 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine

2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine (PubChem CID 23316326) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine
PubChem CID23316326
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine
SMILESCCC(COC)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C12H20N2O2/c1-4-9(8-15-2)14-10-5-6-11(13)12(7-10)16-3/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyFUNOPMUGSNCNQO-UHFFFAOYSA-N
XLogP2.11
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
CID 114137996
4-bromo-3-chloro-N-(1-methoxybutan-2-yl)aniline
CID 107619352
4-(1-methoxybutan-2-ylamino)benzene-1,2-dicarbonitrile
CID 107788180
4-N-[4-(dimethylamino)butan-2-yl]-2-methoxybenzene-1,4-diamine
CID 63677066
3-methoxy-4-(1-methoxybutan-2-ylamino)benzonitrile
CID 104848089
2-fluoro-4-(1-methoxybutan-2-ylamino)benzenecarbothioamide
CID 113295920
methyl 4-amino-3-(1-methoxybutan-2-ylamino)benzoate
CID 82795645
2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
CID 83142108
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
4-N-octan-4-yl-2-propoxybenzene-1,4-diamine
CID 106022654

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine (CID 23316326) is 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine is CCC(COC)Nc1ccc(N)c(OC)c1.
What is the InChIKey of 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine?
The InChIKey is FUNOPMUGSNCNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-9(8-15-2)14-10-5-6-11(13)12(7-10)16-3/h5-7,9,14H,4,8,13H2,1-3H3.
What are the key properties of 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine?
2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine has a molecular weight of 224.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-(1-methoxybutan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 23316326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).