3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine

C14H24N2O2 — CID 115134461

IUPAC3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(NC(C)(C)CCN)cc1OC
InChIInChI=1S/C14H24N2O2/c1-10-8-12(17-4)13(18-5)9-11(10)16-14(2,3)6-7-15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyQWUOACVLZMCMAY-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.55
Rot. Bonds6

About 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine

3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine (PubChem CID 115134461) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine
PubChem CID115134461
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine
SMILESCOc1cc(C)c(NC(C)(C)CCN)cc1OC
InChIInChI=1S/C14H24N2O2/c1-10-8-12(17-4)13(18-5)9-11(10)16-14(2,3)6-7-15/h8-9,16H,6-7,15H2,1-5H3
InChIKeyQWUOACVLZMCMAY-UHFFFAOYSA-N
XLogP2.55
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-N-(2,5-dimethoxy-4-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134457
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropane-1,2-diamine
CID 115131625
3-N-(4-tert-butyl-2-methylphenyl)-3-methylbutane-1,3-diamine
CID 115134478
3-methyl-3-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 115134462
2-(5-chloro-4-methoxy-2-methylanilino)-2-methylpropan-1-ol
CID 115133125
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
4-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylbutan-1-amine
CID 116925112
2-N-(4,5-dimethoxy-2-methylphenyl)propane-1,2-diamine
CID 103388458
4,5-dimethoxy-N-(2-methoxyethyl)-2-methylaniline
CID 98783881
3-N-(3-bromo-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115134422
2-amino-N-(4,5-dimethoxy-2-methylphenyl)-2-methylbutanamide
CID 79796473
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313

Frequently Asked Questions

What is the IUPAC name of 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine (CID 115134461) is 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine is COc1cc(C)c(NC(C)(C)CCN)cc1OC.
What is the InChIKey of 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine?
The InChIKey is QWUOACVLZMCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10-8-12(17-4)13(18-5)9-11(10)16-14(2,3)6-7-15/h8-9,16H,6-7,15H2,1-5H3.
What are the key properties of 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine?
3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4,5-dimethoxy-2-methylphenyl)-3-methylbutane-1,3-diamine is sourced from PubChem (CID 115134461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).