2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine

C16H25ClN2O — CID 83028148

IUPAC2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
SMILESCCC1(CC)CC(Nc2cc(Cl)c(N)cc2C)CCO1
InChIInChI=1S/C16H25ClN2O/c1-4-16(5-2)10-12(6-7-20-16)19-15-9-13(17)14(18)8-11(15)3/h8-9,12,19H,4-7,10,18H2,1-3H3
InChIKeyVXEOTIOBDLDNKM-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine

2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine (PubChem CID 83028148) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
PubChem CID83028148
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine
SMILESCCC1(CC)CC(Nc2cc(Cl)c(N)cc2C)CCO1
InChIInChI=1S/C16H25ClN2O/c1-4-16(5-2)10-12(6-7-20-16)19-15-9-13(17)14(18)8-11(15)3/h8-9,12,19H,4-7,10,18H2,1-3H3
InChIKeyVXEOTIOBDLDNKM-UHFFFAOYSA-N
XLogP4.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.38
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

3,6-dichloro-N-(2,2-diethyloxan-4-yl)pyridazin-4-amine
CID 83028580
4-bromo-2-N-(2,2-diethyloxan-4-yl)benzene-1,2-diamine
CID 83027025
1-N-(2,2-diethyloxan-4-yl)-4-iodobenzene-1,2-diamine
CID 83027430
1-N-(2,2-diethyloxan-4-yl)-3,5-difluorobenzene-1,2-diamine
CID 83027186
4-chloro-2-[(2,2-diethyloxan-4-yl)amino]benzenecarbothioamide
CID 83036686
4-amino-3-chloro-N-(2,2-diethyloxan-4-yl)benzamide
CID 83034731
2-chloro-5-methyl-4-N-(4-methylcyclohexyl)benzene-1,4-diamine
CID 113334150
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
1-N-(2,2-diethyloxan-4-yl)-4-nitrobenzene-1,2-diamine
CID 83035182
2-chloro-4-N-(2,2-dimethylcyclopropyl)-5-methylbenzene-1,4-diamine
CID 115554822
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
CID 82760303
6-N-(2,2-diethyloxan-4-yl)pyridine-2,3,6-triamine
CID 83026937

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine?
The IUPAC name of 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine (CID 83028148) is 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine.
What is the SMILES notation for 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine?
The canonical SMILES for 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine is CCC1(CC)CC(Nc2cc(Cl)c(N)cc2C)CCO1.
What is the InChIKey of 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine?
The InChIKey is VXEOTIOBDLDNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-16(5-2)10-12(6-7-20-16)19-15-9-13(17)14(18)8-11(15)3/h8-9,12,19H,4-7,10,18H2,1-3H3.
What are the key properties of 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine?
2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine has a molecular weight of 296.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-(2,2-diethyloxan-4-yl)-5-methylbenzene-1,4-diamine is sourced from PubChem (CID 83028148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).