1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine

C14H24N2O — CID 83946331

IUPAC1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
SMILESCCC(N)CNc1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-4-12(15)9-16-13-5-7-14(8-6-13)17-10-11(2)3/h5-8,11-12,16H,4,9-10,15H2,1-3H3
InChIKeyRDQAHIVXGIUWKS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.87
Rot. Bonds7

About 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine

1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine (PubChem CID 83946331) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
PubChem CID83946331
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine
SMILESCCC(N)CNc1ccc(OCC(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-4-12(15)9-16-13-5-7-14(8-6-13)17-10-11(2)3/h5-8,11-12,16H,4,9-10,15H2,1-3H3
InChIKeyRDQAHIVXGIUWKS-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpropoxy)-N-(2-methylpropyl)aniline
CID 83946363
N,N'-bis[4-(2-methylpropoxy)phenyl]ethane-1,2-diamine
CID 54808031
1-N-(4-ethylphenyl)butane-1,2-diamine
CID 83961853
1-[4-(2-aminobutylamino)phenyl]ethanol
CID 83962947
1-N-(4-ethoxyphenyl)-3-methylbutane-1,2-diamine
CID 83961932
N-[[4-(2-methylpropoxy)phenyl]methyl]-4-propan-2-yloxyaniline
CID 39455797
4-methoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 34884368
(2R)-1-(4-tert-butylphenoxy)butan-2-amine
CID 94338350
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(2-methylpropoxy)aniline
CID 54799152
sodium 2-[4-(2-methylpropoxy)anilino]acetate
CID 23687419
4-heptoxy-N-[[4-(2-methylpropoxy)phenyl]methyl]aniline
CID 54799736
N-[2-[4-(2-methylbutan-2-yl)phenoxy]ethyl]-4-(2-methylpropoxy)aniline
CID 54799086

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine?
The IUPAC name of 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine (CID 83946331) is 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine.
What is the SMILES notation for 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine?
The canonical SMILES for 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine is CCC(N)CNc1ccc(OCC(C)C)cc1.
What is the InChIKey of 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine?
The InChIKey is RDQAHIVXGIUWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-12(15)9-16-13-5-7-14(8-6-13)17-10-11(2)3/h5-8,11-12,16H,4,9-10,15H2,1-3H3.
What are the key properties of 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine?
1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(2-methylpropoxy)phenyl]butane-1,2-diamine is sourced from PubChem (CID 83946331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).