1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine

C18H30N2O — CID 16786128

IUPAC1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(CC(N)c2ccc(C(C)(C)C)cc2)CC(C)O1
InChIInChI=1S/C18H30N2O/c1-13-10-20(11-14(2)21-13)12-17(19)15-6-8-16(9-7-15)18(3,4)5/h6-9,13-14,17H,10-12,19H2,1-5H3
InChIKeyPRSBWDLYXIYCOC-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.09
Rot. Bonds3

About 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine

1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine (PubChem CID 16786128) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
PubChem CID16786128
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine
SMILESCC1CN(CC(N)c2ccc(C(C)(C)C)cc2)CC(C)O1
InChIInChI=1S/C18H30N2O/c1-13-10-20(11-14(2)21-13)12-17(19)15-6-8-16(9-7-15)18(3,4)5/h6-9,13-14,17H,10-12,19H2,1-5H3
InChIKeyPRSBWDLYXIYCOC-UHFFFAOYSA-N
XLogP3.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
2-(2,6-dimethylmorpholin-4-yl)-1-(3-methylphenyl)ethanamine
CID 61310482
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 107522093
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-ol
CID 171381608
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-ethylphenyl)ethanamine
CID 79187944
(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066341
(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066342
1-(4-tert-butylphenyl)-3-cyclopentylpropan-1-amine
CID 43110325
1-(4-tert-butylphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanol
CID 63470560
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylpropan-2-amine
CID 104959145
(2S)-1-(2,6-dimethylmorpholin-4-yl)-3-methylbutan-2-amine
CID 130522014
(1S)-1-(4-tert-butylphenyl)butan-1-amine;hydrochloride
CID 50999225

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine (CID 16786128) is 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine is CC1CN(CC(N)c2ccc(C(C)(C)C)cc2)CC(C)O1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
The InChIKey is PRSBWDLYXIYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-13-10-20(11-14(2)21-13)12-17(19)15-6-8-16(9-7-15)18(3,4)5/h6-9,13-14,17H,10-12,19H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine?
1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 16786128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).