(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine

C20H33N3O — CID 99854313

IUPAC(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccccc1[C@H](CN1CCOCC1)NCC1CCN(C)CC1
InChIInChI=1S/C20H33N3O/c1-17-5-3-4-6-19(17)20(16-23-11-13-24-14-12-23)21-15-18-7-9-22(2)10-8-18/h3-6,18,20-21H,7-16H2,1-2H3/t20-/m0/s1
InChIKeyVWVVQTVTUABQLY-FQEVSTJZSA-N
MW331.50 g/mol
LogP2.30
Rot. Bonds6

About (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine

(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 99854313) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound Name(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID99854313
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCc1ccccc1[C@H](CN1CCOCC1)NCC1CCN(C)CC1
InChIInChI=1S/C20H33N3O/c1-17-5-3-4-6-19(17)20(16-23-11-13-24-14-12-23)21-15-18-7-9-22(2)10-8-18/h3-6,18,20-21H,7-16H2,1-2H3/t20-/m0/s1
InChIKeyVWVVQTVTUABQLY-FQEVSTJZSA-N
XLogP2.30
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2-methylphenyl)-2-morpholin-4-yl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 99854285
2-[[1-(2-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-phenylethanol
CID 146081346
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)-2-morpholin-4-ylethanamine
CID 99782963
(4S)-2,2-dimethyl-N-[(1S)-1-(2-methylphenyl)-2-morpholin-4-ylethyl]oxan-4-amine
CID 99701622
1-(2-methylphenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927501
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]propan-2-amine
CID 62591322
N-ethyl-2-(4-methylazepan-1-yl)-1-(2-methylphenyl)ethanamine
CID 63624425
(1R)-1-(2-fluorophenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81379999
(1R)-1-(2-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 81397127
(1S)-N-[(1-methylpiperidin-4-yl)methyl]-2-methylsulfanyl-1-phenylethanamine
CID 99615093
2-methoxy-N-[(1-methylpiperidin-4-yl)methyl]-1-phenylethanamine
CID 103464163

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine (CID 99854313) is (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine is Cc1ccccc1[C@H](CN1CCOCC1)NCC1CCN(C)CC1.
What is the InChIKey of (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is VWVVQTVTUABQLY-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33N3O/c1-17-5-3-4-6-19(17)20(16-23-11-13-24-14-12-23)21-15-18-7-9-22(2)10-8-18/h3-6,18,20-21H,7-16H2,1-2H3/t20-/m0/s1.
What are the key properties of (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine?
(1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 331.50 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-methylphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 99854313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).