N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine

C15H24N2O — CID 79749259

IUPACN-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCC1CN(C)CCO1
InChIInChI=1S/C15H24N2O/c1-13-5-3-4-6-14(13)7-8-16-11-15-12-17(2)9-10-18-15/h3-6,15-16H,7-12H2,1-2H3
InChIKeyQFAZHPKBCXGEQQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.46
Rot. Bonds5

About N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine

N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine (PubChem CID 79749259) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
PubChem CID79749259
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine
SMILESCc1ccccc1CCNCC1CN(C)CCO1
InChIInChI=1S/C15H24N2O/c1-13-5-3-4-6-14(13)7-8-16-11-15-12-17(2)9-10-18-15/h3-6,15-16H,7-12H2,1-2H3
InChIKeyQFAZHPKBCXGEQQ-UHFFFAOYSA-N
XLogP1.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-3-phenylpropan-1-amine
CID 78945255
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-2-thiophen-2-ylethanamine
CID 95303552
N-[(4-methylmorpholin-2-yl)methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110710274
N-[(2-fluorophenyl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 124542983
methyl 2-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzoate
CID 79083227
3-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,2-diol
CID 79083126
N-[(2-ethoxyphenyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943123
2-(2-fluorophenyl)-N-[(4-propan-2-ylmorpholin-2-yl)methyl]ethanamine
CID 64534692
N'-cyclopropyl-N'-methyl-N-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79172100
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(2-methylphenyl)methyl]methanamine
CID 95338826
3-chloro-N-[(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79181889

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine (CID 79749259) is N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine is Cc1ccccc1CCNCC1CN(C)CCO1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
The InChIKey is QFAZHPKBCXGEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13-5-3-4-6-14(13)7-8-16-11-15-12-17(2)9-10-18-15/h3-6,15-16H,7-12H2,1-2H3.
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine?
N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-2-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79749259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).