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

C15H26Cl2N2O — CID 2968647

IUPACN-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCCc1ccc(CNCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-2-14-3-5-15(6-4-14)13-16-7-8-17-9-11-18-12-10-17;;/h3-6,16H,2,7-13H2,1H3;2*1H
InChIKeyRBJUVHVZCXQINL-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.51
Rot. Bonds6

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

N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 2968647) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID2968647
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC NameN-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCCc1ccc(CNCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-2-14-3-5-15(6-4-14)13-16-7-8-17-9-11-18-12-10-17;;/h3-6,16H,2,7-13H2,1H3;2*1H
InChIKeyRBJUVHVZCXQINL-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.51
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-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6460386
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[[4-(difluoromethyl)phenyl]methyl]-2-morpholin-4-ylethanamine
CID 115523459
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
N-[(4-tert-butylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152140
N-(1,3-benzodioxol-5-ylmethyl)-2-morpholin-4-ylethanamine
CID 4719981
N-[(3,5-dichlorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 54920179
N-[(2-methylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968793
N-[(3-fluoro-5-methylphenyl)methyl]-2-morpholin-4-ylethanamine
CID 90054696

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (CID 2968647) is N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is CCc1ccc(CNCCN2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is RBJUVHVZCXQINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-2-14-3-5-15(6-4-14)13-16-7-8-17-9-11-18-12-10-17;;/h3-6,16H,2,7-13H2,1H3;2*1H.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 2968647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).