4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine

C16H25ClN2O — CID 75428165

IUPAC4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine
SMILESCC(NCC1(N(C)C)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(14-4-6-15(17)7-5-14)18-12-16(19(2)3)8-10-20-11-9-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyUHTYGRPJRDWVFO-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.10
Rot. Bonds5

About 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine

4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine (PubChem CID 75428165) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine
PubChem CID75428165
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine
SMILESCC(NCC1(N(C)C)CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(14-4-6-15(17)7-5-14)18-12-16(19(2)3)8-10-20-11-9-16/h4-7,13,18H,8-12H2,1-3H3
InChIKeyUHTYGRPJRDWVFO-UHFFFAOYSA-N
XLogP3.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine?
The IUPAC name of 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine (CID 75428165) is 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine?
The canonical SMILES for 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine is CC(NCC1(N(C)C)CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine?
The InChIKey is UHTYGRPJRDWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13(14-4-6-15(17)7-5-14)18-12-16(19(2)3)8-10-20-11-9-16/h4-7,13,18H,8-12H2,1-3H3.
What are the key properties of 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine?
4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine has a molecular weight of 296.84 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-chlorophenyl)ethylamino]methyl]-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 75428165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).