1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine

C16H26N2O2 — CID 62462753

IUPAC1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCN2CCOCC2(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2)13-19-10-8-18(16)9-11-20-15-6-4-14(5-7-15)12-17-3/h4-7,17H,8-13H2,1-3H3
InChIKeyIFPWWNPRZFGFBL-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.90
Rot. Bonds6

About 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine

1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine (PubChem CID 62462753) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
PubChem CID62462753
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OCCN2CCOCC2(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-16(2)13-19-10-8-18(16)9-11-20-15-6-4-14(5-7-15)12-17-3/h4-7,17H,8-13H2,1-3H3
InChIKeyIFPWWNPRZFGFBL-UHFFFAOYSA-N
XLogP1.90
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,3-dimethylmorpholin-4-yl)propoxy]aniline
CID 61429455
N-methyl-1-[4-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethoxy]phenyl]methanamine
CID 114413327
1-[2-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 55161171
1-[4-[2-(2,3-dimethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62413368
N-[(4-butoxyphenyl)methyl]morpholin-4-amine
CID 83012107
1-[3-[2-(2,2-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62432960
1-[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 102968100
1-[4-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 62431792
1-[4-(2-imidazol-1-ylethoxy)phenyl]-N-methylmethanamine
CID 60880613
2,2-dimethyl-1-[2-(4-methylphenoxy)ethyl]piperazine
CID 65460395
N-methyl-3-[4-(methylaminomethyl)phenoxy]propanamide
CID 62324162
5-[(3,3-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62207578

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine (CID 62462753) is 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine is CNCc1ccc(OCCN2CCOCC2(C)C)cc1.
What is the InChIKey of 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine?
The InChIKey is IFPWWNPRZFGFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2)13-19-10-8-18(16)9-11-20-15-6-4-14(5-7-15)12-17-3/h4-7,17H,8-13H2,1-3H3.
What are the key properties of 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine?
1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3,3-dimethylmorpholin-4-yl)ethoxy]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62462753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).