N'-(2-methoxyphenyl)butane-1,4-diamine

C11H18N2O — CID 94254161

IUPACN'-(2-methoxyphenyl)butane-1,4-diamine
SMILESCOc1ccccc1NCCCCN
InChIInChI=1S/C11H18N2O/c1-14-11-7-3-2-6-10(11)13-9-5-4-8-12/h2-3,6-7,13H,4-5,8-9,12H2,1H3
InChIKeyJZTSDQPDQJHFOY-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.85
Rot. Bonds6

About N'-(2-methoxyphenyl)butane-1,4-diamine

N'-(2-methoxyphenyl)butane-1,4-diamine (PubChem CID 94254161) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)butane-1,4-diamine
PubChem CID94254161
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN'-(2-methoxyphenyl)butane-1,4-diamine
SMILESCOc1ccccc1NCCCCN
InChIInChI=1S/C11H18N2O/c1-14-11-7-3-2-6-10(11)13-9-5-4-8-12/h2-3,6-7,13H,4-5,8-9,12H2,1H3
InChIKeyJZTSDQPDQJHFOY-UHFFFAOYSA-N
XLogP1.85
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.85
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'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
N'-(2,4-dimethoxyphenyl)butane-1,4-diamine
CID 82114957
2-methoxy-N-(3-methylsulfanylpropyl)aniline
CID 28612222
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470
N'-(5-tert-butyl-2-methoxyphenyl)butane-1,4-diamine
CID 115200968
N-(3-ethoxypropyl)-2-methoxyaniline
CID 65176309
N-(3-aminopropyl)-2-(2-methoxyanilino)acetamide;dihydrochloride
CID 119405623
1-(3-aminopropyl)-3-(2-methoxyphenyl)urea
CID 62267554
N'-(2-methoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 54807142
N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
CID 54798108
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
sodium 6-(2-methoxyanilino)hexane-1-sulfonate
CID 23692010

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)butane-1,4-diamine?
The IUPAC name of N'-(2-methoxyphenyl)butane-1,4-diamine (CID 94254161) is N'-(2-methoxyphenyl)butane-1,4-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)butane-1,4-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)butane-1,4-diamine is COc1ccccc1NCCCCN.
What is the InChIKey of N'-(2-methoxyphenyl)butane-1,4-diamine?
The InChIKey is JZTSDQPDQJHFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-11-7-3-2-6-10(11)13-9-5-4-8-12/h2-3,6-7,13H,4-5,8-9,12H2,1H3.
What are the key properties of N'-(2-methoxyphenyl)butane-1,4-diamine?
N'-(2-methoxyphenyl)butane-1,4-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)butane-1,4-diamine is sourced from PubChem (CID 94254161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).