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

C14H24Cl2N2O2 — CID 6460386

IUPACN-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCOc1ccc(CNCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-17-14-4-2-13(3-5-14)12-15-6-7-16-8-10-18-11-9-16;;/h2-5,15H,6-12H2,1H3;2*1H
InChIKeyGEEFJZKMUCBLKE-UHFFFAOYSA-N
MW323.26 g/mol
LogP1.96
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (PubChem CID 6460386) has the molecular formula C14H24Cl2N2O2 and a molecular weight of 323.26 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
PubChem CID6460386
Molecular FormulaC14H24Cl2N2O2
Molecular Weight323.26 g/mol
Exact Mass322.12
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
SMILESCOc1ccc(CNCCN2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C14H22N2O2.2ClH/c1-17-14-4-2-13(3-5-14)12-15-6-7-16-8-10-18-11-9-16;;/h2-5,15H,6-12H2,1H3;2*1H
InChIKeyGEEFJZKMUCBLKE-UHFFFAOYSA-N
XLogP1.96
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-ethylphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 2968647
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
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-1-(4-methoxyphenyl)methanamine;dihydrochloride
CID 17216121
N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 17216096
2-methoxy-4-[(2-morpholin-4-ylethylamino)methyl]benzonitrile
CID 106786936
1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 95178028
N'-[(4-methoxyphenyl)methyl]-N-[2-[(4-methoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride
CID 54604345
4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 28583134
N-[(3,5-dimethoxyphenyl)methyl]-1-[4-(morpholin-4-ylmethyl)phenyl]methanamine
CID 78809930

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride (CID 6460386) is N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is COc1ccc(CNCCN2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
The InChIKey is GEEFJZKMUCBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.2ClH/c1-17-14-4-2-13(3-5-14)12-15-6-7-16-8-10-18-11-9-16;;/h2-5,15H,6-12H2,1H3;2*1H.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride?
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride has a molecular weight of 323.26 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride is sourced from PubChem (CID 6460386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).