N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

C14H24Cl2N2O — CID 2968793

IUPACN-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCc1ccccc1CNCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-13-4-2-3-5-14(13)12-15-6-7-16-8-10-17-11-9-16;;/h2-5,15H,6-12H2,1H3;2*1H
InChIKeyMDISWPUQWLUPAT-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.26
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride

N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 2968793) has the molecular formula C14H24Cl2N2O and a molecular weight of 307.26 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID2968793
Molecular FormulaC14H24Cl2N2O
Molecular Weight307.26 g/mol
Exact Mass306.13
IUPAC NameN-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCc1ccccc1CNCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C14H22N2O.2ClH/c1-13-4-2-3-5-14(13)12-15-6-7-16-8-10-17-11-9-16;;/h2-5,15H,6-12H2,1H3;2*1H
InChIKeyMDISWPUQWLUPAT-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.26
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-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
2-(azepan-1-yl)-N-[(2-methylphenyl)methyl]ethanamine
CID 60751882
N-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016696
N-[[2-[(2-methylphenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-morpholin-4-ylethanamine
CID 125114302
2-morpholin-4-yl-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 43220541
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
1-[(2-methylphenyl)methyl]-3-(3-morpholin-4-ylpropyl)urea
CID 108897158
2-(2-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]acetamide
CID 112991530
N-[(2-fluoro-3-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine
CID 104791505
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (CID 2968793) is N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is Cc1ccccc1CNCCN1CCOCC1.Cl.Cl.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is MDISWPUQWLUPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.2ClH/c1-13-4-2-3-5-14(13)12-15-6-7-16-8-10-17-11-9-16;;/h2-5,15H,6-12H2,1H3;2*1H.
What are the key properties of N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 307.26 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 2968793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).