N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C18H30N2O — CID 62438146

IUPACN-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(Cc2cccc(CNC(C)(C)C)c2)CC(C)O1
InChIInChI=1S/C18H30N2O/c1-14-11-20(12-15(2)21-14)13-17-8-6-7-16(9-17)10-19-18(3,4)5/h6-9,14-15,19H,10-13H2,1-5H3
InChIKeyDMBPIWFWZUZEQF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.18
Rot. Bonds4

About N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 62438146) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID62438146
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCC1CN(Cc2cccc(CNC(C)(C)C)c2)CC(C)O1
InChIInChI=1S/C18H30N2O/c1-14-11-20(12-15(2)21-14)13-17-8-6-7-16(9-17)10-19-18(3,4)5/h6-9,14-15,19H,10-13H2,1-5H3
InChIKeyDMBPIWFWZUZEQF-UHFFFAOYSA-N
XLogP3.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62438354
(2S,6R)-4-[(3-bromophenyl)methyl]-2,6-dimethylmorpholine
CID 779466
3-[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]propanoic acid
CID 84758606
[5-[[3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]anilino]methyl]furan-2-yl]methanol
CID 97093121
3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 97060320
N-[[3-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 62435294
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62424303
2,6-ditert-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]phenol
CID 3537388
2-methyl-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]propan-2-amine
CID 62446622
3-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N,N-dimethylbenzenesulfonamide
CID 29430254
(2S,6R)-4-[(2-chloro-4-pyridinyl)methyl]-2,6-dimethylmorpholine
CID 103936707
N-methyl-1-[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
CID 62436863

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 62438146) is N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is CC1CN(Cc2cccc(CNC(C)(C)C)c2)CC(C)O1.
What is the InChIKey of N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is DMBPIWFWZUZEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14-11-20(12-15(2)21-14)13-17-8-6-7-16(9-17)10-19-18(3,4)5/h6-9,14-15,19H,10-13H2,1-5H3.
What are the key properties of N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 290.45 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62438146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).