3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine

C14H24N2O2 — CID 80735464

IUPAC3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCC(COC)Nc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-5-12(9-17-4)16-13-6-11(15)7-14(8-13)18-10(2)3/h6-8,10,12,16H,5,9,15H2,1-4H3
InChIKeyFVSCLEGLEOPKCM-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.89
Rot. Bonds7

About 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine

3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine (PubChem CID 80735464) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
PubChem CID80735464
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
SMILESCCC(COC)Nc1cc(N)cc(OC(C)C)c1
InChIInChI=1S/C14H24N2O2/c1-5-12(9-17-4)16-13-6-11(15)7-14(8-13)18-10(2)3/h6-8,10,12,16H,5,9,15H2,1-4H3
InChIKeyFVSCLEGLEOPKCM-UHFFFAOYSA-N
XLogP2.89
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.89
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

3-N-(1-ethylsulfanylpropan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 113498930
2-(3-amino-5-propan-2-yloxyanilino)-3-methylbutan-1-ol
CID 80734602
3-N-(6-methylheptan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80740319
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
3-N-(2-butoxyethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80739389
3-N-(3,5-dimethylphenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80721970
3-N-(cyclopropylmethyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80726467
3-(2-ethylbutoxy)-5-propan-2-yloxyaniline
CID 114208247
3-N-(3,5-dichlorophenyl)-5-propan-2-yloxybenzene-1,3-diamine
CID 80723309
2-[2-(3-amino-5-propan-2-yloxyanilino)ethoxy]ethanol
CID 80739762
3-N-[(4-methoxyphenyl)methyl]-5-propan-2-yloxybenzene-1,3-diamine
CID 80726923
N-(1-methoxypropan-2-yl)-3-nitro-5-propan-2-yloxyaniline
CID 80722068

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The IUPAC name of 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine (CID 80735464) is 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine is CCC(COC)Nc1cc(N)cc(OC(C)C)c1.
What is the InChIKey of 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
The InChIKey is FVSCLEGLEOPKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-12(9-17-4)16-13-6-11(15)7-14(8-13)18-10(2)3/h6-8,10,12,16H,5,9,15H2,1-4H3.
What are the key properties of 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine?
3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-methoxybutan-2-yl)-5-propan-2-yloxybenzene-1,3-diamine is sourced from PubChem (CID 80735464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).