1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine

C16H26N2O2 — CID 115958037

IUPAC1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCCN1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-13-4-3-5-15(12-14(2)17)16(13)20-11-8-18-6-9-19-10-7-18/h3-5,14H,6-12,17H2,1-2H3
InChIKeyVCLAVULJSXUHQB-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.60
Rot. Bonds6

About 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine

1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine (PubChem CID 115958037) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
PubChem CID115958037
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCCN1CCOCC1
InChIInChI=1S/C16H26N2O2/c1-13-4-3-5-15(12-14(2)17)16(13)20-11-8-18-6-9-19-10-7-18/h3-5,14H,6-12,17H2,1-2H3
InChIKeyVCLAVULJSXUHQB-UHFFFAOYSA-N
XLogP1.60
TPSA47.72 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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-2-(2-morpholin-4-ylethoxy)phenyl]butan-2-amine
CID 61392419
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
1-[3-methyl-2-(3-methylsulfanylpropoxy)phenyl]propan-2-amine
CID 113474040
3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline
CID 156846731
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[3-fluoro-2-(3-pyrrolidin-1-ylpropoxy)phenyl]propan-2-amine
CID 115958668
ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
3-amino-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865260
N-[[3-fluoro-2-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955088

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine (CID 115958037) is 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCCN1CCOCC1.
What is the InChIKey of 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
The InChIKey is VCLAVULJSXUHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-4-3-5-15(12-14(2)17)16(13)20-11-8-18-6-9-19-10-7-18/h3-5,14H,6-12,17H2,1-2H3.
What are the key properties of 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine?
1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(2-morpholin-4-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 115958037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).