4-N-cyclooctyl-2-methoxybenzene-1,4-diamine

C15H24N2O — CID 63672291

IUPAC4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCCCCCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-18-15-11-13(9-10-14(15)16)17-12-7-5-3-2-4-6-8-12/h9-12,17H,2-8,16H2,1H3
InChIKeyCATIBPYXCKBYBP-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.80
Rot. Bonds3

About 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine

4-N-cyclooctyl-2-methoxybenzene-1,4-diamine (PubChem CID 63672291) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
PubChem CID63672291
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
SMILESCOc1cc(NC2CCCCCCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-18-15-11-13(9-10-14(15)16)17-12-7-5-3-2-4-6-8-12/h9-12,17H,2-8,16H2,1H3
InChIKeyCATIBPYXCKBYBP-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.80
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

N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 63669829
4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
N-(3-fluoro-4-methoxyphenyl)cycloheptanamine
CID 43380636
4-N-(1,1-dioxothiolan-3-yl)-2-methoxybenzene-1,4-diamine
CID 55232141
N-cyclopentyl-3-ethoxy-4-methoxyaniline
CID 43729865
4-(cycloheptylamino)-2-methoxybenzoic acid
CID 107209609
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
CID 63676263
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
4-N-(1-benzylpiperidin-4-yl)-2-methoxybenzene-1,4-diamine
CID 58608359

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine?
The IUPAC name of 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine (CID 63672291) is 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine is COc1cc(NC2CCCCCCC2)ccc1N.
What is the InChIKey of 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine?
The InChIKey is CATIBPYXCKBYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-15-11-13(9-10-14(15)16)17-12-7-5-3-2-4-6-8-12/h9-12,17H,2-8,16H2,1H3.
What are the key properties of 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine?
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclooctyl-2-methoxybenzene-1,4-diamine is sourced from PubChem (CID 63672291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).