2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine

C17H28N2O — CID 62422688

IUPAC2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(CN2CCOCC2C)c1
InChIInChI=1S/C17H28N2O/c1-14(2)10-18-11-16-5-4-6-17(9-16)12-19-7-8-20-13-15(19)3/h4-6,9,14-15,18H,7-8,10-13H2,1-3H3
InChIKeyYITRBNYNFOXVIV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.65
Rot. Bonds6

About 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine

2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine (PubChem CID 62422688) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
PubChem CID62422688
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1cccc(CN2CCOCC2C)c1
InChIInChI=1S/C17H28N2O/c1-14(2)10-18-11-16-5-4-6-17(9-16)12-19-7-8-20-13-15(19)3/h4-6,9,14-15,18H,7-8,10-13H2,1-3H3
InChIKeyYITRBNYNFOXVIV-UHFFFAOYSA-N
XLogP2.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[2-[(3-methylmorpholin-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 115463705
3-[(3-methylmorpholin-4-yl)methyl]benzonitrile
CID 43429112
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63619611
(3S)-3-methyl-4-[(4-propan-2-ylphenyl)methyl]morpholine
CID 59376141
[4-[(3-methylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008118
4-[(3-methylmorpholin-4-yl)methyl]phenol
CID 82972800
2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 39400901
2-methyl-N-[[3-(oxolan-3-ylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 66348132
N-[[3-[(2,4-dimethylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62430874
2-methyl-N-[[4-[2-[(3S)-3-methylmorpholin-4-yl]sulfonylphenyl]phenyl]methyl]propan-1-amine
CID 68556219
4-[(4-methoxyphenyl)methyl]-3-methylmorpholine
CID 67042011
(3S)-3-(2-methylpropyl)-4-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine
CID 99948939

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine (CID 62422688) is 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine is CC(C)CNCc1cccc(CN2CCOCC2C)c1.
What is the InChIKey of 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is YITRBNYNFOXVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(2)10-18-11-16-5-4-6-17(9-16)12-19-7-8-20-13-15(19)3/h4-6,9,14-15,18H,7-8,10-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(3-methylmorpholin-4-yl)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62422688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).