N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine

C14H24N2O2 — CID 115201222

IUPACN'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine
SMILESCOc1cc(C)c(CNCCCCN)cc1OC
InChIInChI=1S/C14H24N2O2/c1-11-8-13(17-2)14(18-3)9-12(11)10-16-7-5-4-6-15/h8-9,16H,4-7,10,15H2,1-3H3
InChIKeyPFIMVDZBXAGRBY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.84
Rot. Bonds8

About N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine

N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine (PubChem CID 115201222) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine
PubChem CID115201222
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine
SMILESCOc1cc(C)c(CNCCCCN)cc1OC
InChIInChI=1S/C14H24N2O2/c1-11-8-13(17-2)14(18-3)9-12(11)10-16-7-5-4-6-15/h8-9,16H,4-7,10,15H2,1-3H3
InChIKeyPFIMVDZBXAGRBY-UHFFFAOYSA-N
XLogP1.84
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
CID 115201196
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]butane-1,4-diamine
CID 60894723
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropane-1,3-diamine
CID 115197854
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
N'-[(2-bromo-4,5-dimethoxyphenyl)methyl]propane-1,3-diamine
CID 60888177
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-methylbutane-1,4-diamine
CID 115202575
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
N'-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butane-1,4-diamine
CID 115201216
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
N'-[(4-tert-butyl-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201234
N-(2-aminoethyl)-2-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 98016358

Frequently Asked Questions

What is the IUPAC name of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine (CID 115201222) is N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine is COc1cc(C)c(CNCCCCN)cc1OC.
What is the InChIKey of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine?
The InChIKey is PFIMVDZBXAGRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-8-13(17-2)14(18-3)9-12(11)10-16-7-5-4-6-15/h8-9,16H,4-7,10,15H2,1-3H3.
What are the key properties of N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine?
N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 115201222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).