N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine

C20H32N2O3 — CID 75440090

IUPACN-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC1CC(C)OC(C)C1
InChIInChI=1S/C20H32N2O3/c1-14-10-16(11-15(2)25-14)21-18-7-6-17(12-19(18)23-5)22-8-9-24-20(3,4)13-22/h6-7,12,14-16,21H,8-11,13H2,1-5H3
InChIKeyHHGVACGMAFAVDY-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.68
Rot. Bonds4

About N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine

N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine (PubChem CID 75440090) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine.

Molecular Properties

Compound NameN-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine
PubChem CID75440090
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC1CC(C)OC(C)C1
InChIInChI=1S/C20H32N2O3/c1-14-10-16(11-15(2)25-14)21-18-7-6-17(12-19(18)23-5)22-8-9-24-20(3,4)13-22/h6-7,12,14-16,21H,8-11,13H2,1-5H3
InChIKeyHHGVACGMAFAVDY-UHFFFAOYSA-N
XLogP3.68
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine?
The IUPAC name of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine (CID 75440090) is N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine.
What is the SMILES notation for N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine?
The canonical SMILES for N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine is COc1cc(N2CCOC(C)(C)C2)ccc1NC1CC(C)OC(C)C1.
What is the InChIKey of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine?
The InChIKey is HHGVACGMAFAVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14-10-16(11-15(2)25-14)21-18-7-6-17(12-19(18)23-5)22-8-9-24-20(3,4)13-22/h6-7,12,14-16,21H,8-11,13H2,1-5H3.
What are the key properties of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine?
N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine has a molecular weight of 348.49 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine is sourced from PubChem (CID 75440090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).