2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine

C17H28N2O — CID 61432961

IUPAC2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CN2CCOCC2(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)14-5-7-15(8-6-14)16(18)11-19-9-10-20-12-17(19,3)4/h5-8,13,16H,9-12,18H2,1-4H3
InChIKeyCWJNGPXQEDTCQQ-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.92
Rot. Bonds4

About 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine

2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 61432961) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID61432961
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCC(C)c1ccc(C(N)CN2CCOCC2(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-13(2)14-5-7-15(8-6-14)16(18)11-19-9-10-20-12-17(19,3)4/h5-8,13,16H,9-12,18H2,1-4H3
InChIKeyCWJNGPXQEDTCQQ-UHFFFAOYSA-N
XLogP2.92
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Fluorophenyl)-2-(morpholin-4-yl)ethan-1-amine
CID 4352885
3-(2,4-difluorophenyl)-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 54765676
N-(2-Methoxyethyl)-1-phenylcyclohexanamine
CID 46839344
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
1-(2-morpholin-4-ylethyl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]piperidin-4-amine
CID 44529513
3-morpholino-N-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]propan-1-amine
CID 46937405
2-[4-[[1-[4-(Trifluoromethyl)phenyl]ethylamino]methyl]piperidin-1-yl]ethanol
CID 53571972
N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride
CID 118711483
2-[4-[(4-Propan-2-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842968
2-Morpholino-2-(p-tolyl)acetonitrile
CID 3244987
N-(1-Phenylcyclohexyl)-2-ethoxyethanamine
CID 46839345

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine (CID 61432961) is 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine is CC(C)c1ccc(C(N)CN2CCOCC2(C)C)cc1.
What is the InChIKey of 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is CWJNGPXQEDTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)14-5-7-15(8-6-14)16(18)11-19-9-10-20-12-17(19,3)4/h5-8,13,16H,9-12,18H2,1-4H3.
What are the key properties of 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine?
2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylmorpholin-4-yl)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 61432961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).