3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine

C16H28N2O2 — CID 106007000

IUPAC3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
SMILESCC(C)OCCCCNc1cccc(OC(C)C)c1N
InChIInChI=1S/C16H28N2O2/c1-12(2)19-11-6-5-10-18-14-8-7-9-15(16(14)17)20-13(3)4/h7-9,12-13,18H,5-6,10-11,17H2,1-4H3
InChIKeyHDLLXJMODIQVPJ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.67
Rot. Bonds9

About 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine

3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine (PubChem CID 106007000) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
PubChem CID106007000
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
SMILESCC(C)OCCCCNc1cccc(OC(C)C)c1N
InChIInChI=1S/C16H28N2O2/c1-12(2)19-11-6-5-10-18-14-8-7-9-15(16(14)17)20-13(3)4/h7-9,12-13,18H,5-6,10-11,17H2,1-4H3
InChIKeyHDLLXJMODIQVPJ-UHFFFAOYSA-N
XLogP3.67
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(4-propan-2-yloxybutylamino)benzamide
CID 114137384
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
3-chloro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104834865
1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 104591312
3-methoxy-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814794
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
4-methyl-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 114136517
4-bromo-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106006879
[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol
CID 107231927
2-ethylsulfanyl-6-(4-propan-2-yloxybutylamino)benzenecarbothioamide
CID 106010213
5-(2-amino-3-propoxyanilino)pentan-1-ol
CID 107316474
5-(2-amino-3-methoxyanilino)-2-methylpentan-1-ol
CID 106154653

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
The IUPAC name of 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine (CID 106007000) is 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine.
What is the SMILES notation for 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
The canonical SMILES for 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine is CC(C)OCCCCNc1cccc(OC(C)C)c1N.
What is the InChIKey of 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
The InChIKey is HDLLXJMODIQVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)19-11-6-5-10-18-14-8-7-9-15(16(14)17)20-13(3)4/h7-9,12-13,18H,5-6,10-11,17H2,1-4H3.
What are the key properties of 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine?
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine has a molecular weight of 280.41 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine is sourced from PubChem (CID 106007000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).