N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine

C14H24N2O — CID 115201196

IUPACN'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
SMILESCOc1cc(C)c(CNCCCCN)cc1C
InChIInChI=1S/C14H24N2O/c1-11-9-14(17-3)12(2)8-13(11)10-16-7-5-4-6-15/h8-9,16H,4-7,10,15H2,1-3H3
InChIKeyRHJYGMUBNKQAOS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.14
Rot. Bonds7

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

N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine (PubChem CID 115201196) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
PubChem CID115201196
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine
SMILESCOc1cc(C)c(CNCCCCN)cc1C
InChIInChI=1S/C14H24N2O/c1-11-9-14(17-3)12(2)8-13(11)10-16-7-5-4-6-15/h8-9,16H,4-7,10,15H2,1-3H3
InChIKeyRHJYGMUBNKQAOS-UHFFFAOYSA-N
XLogP2.14
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4,5-dimethoxy-2-methylphenyl)methyl]butane-1,4-diamine
CID 115201222
N'-[(2-methoxy-5-methylphenyl)methyl]butane-1,4-diamine
CID 60894902
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
[(4-methoxy-2,5-dimethylphenyl)methylamino]methanethiol
CID 115227904
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
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
N'-[(2-methoxyphenyl)methyl]hexane-1,6-diamine
CID 542258
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
N'-[(5-tert-butyl-2-methoxyphenyl)methyl]butane-1,4-diamine
CID 115201190
N'-[(5-chloro-2-methoxy-3-methylphenyl)methyl]butane-1,4-diamine
CID 115201216
N'-[2-(2,4,5-trimethylphenyl)ethyl]butane-1,4-diamine
CID 115201423

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine (CID 115201196) is N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine is COc1cc(C)c(CNCCCCN)cc1C.
What is the InChIKey of N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine?
The InChIKey is RHJYGMUBNKQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-11-9-14(17-3)12(2)8-13(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-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine?
N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-2,5-dimethylphenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 115201196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).