N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine

C13H22N2O — CID 94259004

IUPACN'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1ccc(C)cc1N(C)CCCCN
InChIInChI=1S/C13H22N2O/c1-11-6-7-13(16-3)12(10-11)15(2)9-5-4-8-14/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyNUCMDTVSLSWAGM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.18
Rot. Bonds6

About N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine

N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine (PubChem CID 94259004) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
PubChem CID94259004
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine
SMILESCOc1ccc(C)cc1N(C)CCCCN
InChIInChI=1S/C13H22N2O/c1-11-6-7-13(16-3)12(10-11)15(2)9-5-4-8-14/h6-7,10H,4-5,8-9,14H2,1-3H3
InChIKeyNUCMDTVSLSWAGM-UHFFFAOYSA-N
XLogP2.18
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
N'-(2,4-dimethoxyphenyl)-N'-methylbutane-1,4-diamine
CID 94264285
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
N'-(3-bromo-4-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 115201089
N'-(2-methoxy-4-propan-2-ylphenyl)-N'-methylbutane-1,4-diamine
CID 115201118
2-methoxy-N,5-dimethyl-N-[3-(2,2,2-trifluoroethoxysulfanyl)propyl]aniline
CID 167044977
1-N-(4-aminobutyl)-2-N-(2-fluoro-4-methylphenyl)-1-N,2-N-dimethylbenzene-1,2-diamine
CID 71091015
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
N-[(3-aminocyclobutyl)methyl]-2-methoxy-N,5-dimethylaniline
CID 115213903
4-(2,5-dimethoxy-N-methylanilino)butan-1-ol
CID 115217449
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine (CID 94259004) is N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine is COc1ccc(C)cc1N(C)CCCCN.
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine?
The InChIKey is NUCMDTVSLSWAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-11-6-7-13(16-3)12(10-11)15(2)9-5-4-8-14/h6-7,10H,4-5,8-9,14H2,1-3H3.
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine?
N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine has a molecular weight of 222.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 94259004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).