4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine

C17H30N2O — CID 106022537

IUPAC4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCCCC(CCC)Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-5-7-9-14(8-6-2)19-15-10-11-16(18)17(12-15)20-13(3)4/h10-14,19H,5-9,18H2,1-4H3
InChIKeyXFPYVBXFJOKMFO-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.83
Rot. Bonds9

About 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine

4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 106022537) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID106022537
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCCCCC(CCC)Nc1ccc(N)c(OC(C)C)c1
InChIInChI=1S/C17H30N2O/c1-5-7-9-14(8-6-2)19-15-10-11-16(18)17(12-15)20-13(3)4/h10-14,19H,5-9,18H2,1-4H3
InChIKeyXFPYVBXFJOKMFO-UHFFFAOYSA-N
XLogP4.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
2-methoxy-4-N-octan-4-ylbenzene-1,4-diamine
CID 114137996
4-N-octan-4-yl-2-propoxybenzene-1,4-diamine
CID 106022654
2-amino-4-(octan-4-ylamino)benzonitrile
CID 106022405
4-(2-ethylhexoxy)-2-propan-2-yloxyaniline
CID 83002625
4-N-[(5-ethylthiophen-2-yl)methyl]-2-propan-2-yloxybenzene-1,4-diamine
CID 106007357
4-(2,2-dimethylhydrazinyl)-2-propan-2-yloxyaniline
CID 83012844
4-methyl-N-octan-4-ylaniline
CID 12779858
4-N-(2-methoxypropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 102694533
2-propan-2-yloxy-4-N-(4,4,4-trifluorobutyl)benzene-1,4-diamine
CID 83002196
3-ethoxy-4-nitro-N-octan-4-ylaniline
CID 106026659
4-N-(2-methoxy-2-methylpropyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 113449895

Frequently Asked Questions

What is the IUPAC name of 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine (CID 106022537) is 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine is CCCCC(CCC)Nc1ccc(N)c(OC(C)C)c1.
What is the InChIKey of 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is XFPYVBXFJOKMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-7-9-14(8-6-2)19-15-10-11-16(18)17(12-15)20-13(3)4/h10-14,19H,5-9,18H2,1-4H3.
What are the key properties of 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine?
4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-octan-4-yl-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 106022537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).