(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine

C17H28N2O — CID 81374031

IUPAC(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
SMILESCc1ccccc1[C@@H](C)NCC1CN(C(C)C)CCO1
InChIInChI=1S/C17H28N2O/c1-13(2)19-9-10-20-16(12-19)11-18-15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18H,9-12H2,1-4H3/t15-,16?/m1/s1
InChIKeyLAQVNICSEPPONP-AAFJCEBUSA-N
MW276.42 g/mol
LogP2.75
Rot. Bonds5

About (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine

(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine (PubChem CID 81374031) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
PubChem CID81374031
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
SMILESCc1ccccc1[C@@H](C)NCC1CN(C(C)C)CCO1
InChIInChI=1S/C17H28N2O/c1-13(2)19-9-10-20-16(12-19)11-18-15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18H,9-12H2,1-4H3/t15-,16?/m1/s1
InChIKeyLAQVNICSEPPONP-AAFJCEBUSA-N
XLogP2.75
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 54940082
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 79242000
1-(2,5-dimethylphenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 78946775
N-[(2-ethylphenyl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 64681381
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(4-propan-2-ylmorpholin-2-yl)methanamine
CID 65244123
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]methanamine
CID 66394658
2-[(4-propan-2-ylmorpholin-2-yl)methylamino]propanoic acid
CID 64534343
N-[(4-propan-2-ylmorpholin-2-yl)methyl]hexan-3-amine
CID 64532904

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine (CID 81374031) is (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine is Cc1ccccc1[C@@H](C)NCC1CN(C(C)C)CCO1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
The InChIKey is LAQVNICSEPPONP-AAFJCEBUSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)19-9-10-20-16(12-19)11-18-15(4)17-8-6-5-7-14(17)3/h5-8,13,15-16,18H,9-12H2,1-4H3/t15-,16?/m1/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine?
(1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine is sourced from PubChem (CID 81374031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).