N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

C17H28N2O — CID 60658264

IUPACN-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(C)c(CNCC(C)(C)N2CCOCC2)c1
InChIInChI=1S/C17H28N2O/c1-14-5-6-15(2)16(11-14)12-18-13-17(3,4)19-7-9-20-10-8-19/h5-6,11,18H,7-10,12-13H2,1-4H3
InChIKeyXGFZQGZESOXHGL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.50
Rot. Bonds5

About N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine

N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 60658264) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID60658264
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCc1ccc(C)c(CNCC(C)(C)N2CCOCC2)c1
InChIInChI=1S/C17H28N2O/c1-14-5-6-15(2)16(11-14)12-18-13-17(3,4)19-7-9-20-10-8-19/h5-6,11,18H,7-10,12-13H2,1-4H3
InChIKeyXGFZQGZESOXHGL-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 79611444
N-[(2-bromo-4-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 81497365
N-[(2-methoxyphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28625170
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 43663587
1-[(2,4-dimethylphenyl)methyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314058
N-[(2,6-dichlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 29285730
2,4-dichloro-6-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 29030381
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643425
N-[(2,5-dimethylphenyl)methyl]-2,2-dimethylbutane-1,4-diamine
CID 115204385

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine (CID 60658264) is N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is Cc1ccc(C)c(CNCC(C)(C)N2CCOCC2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is XGFZQGZESOXHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14-5-6-15(2)16(11-14)12-18-13-17(3,4)19-7-9-20-10-8-19/h5-6,11,18H,7-10,12-13H2,1-4H3.
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 60658264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).