2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride

C24H30Cl2N2O2 — CID 17294777

IUPAC2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1
InChIInChI=1S/C24H28N2O2.2ClH/c1-2-6-20(7-3-1)19-28-24-11-10-21-8-4-5-9-22(21)23(24)18-25-12-13-26-14-16-27-17-15-26;;/h1-11,25H,12-19H2;2*1H
InChIKeyNMHNBJPQMYQSAE-UHFFFAOYSA-N
MW449.42 g/mol
LogP4.68
Rot. Bonds8

About 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride

2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride (PubChem CID 17294777) has the molecular formula C24H30Cl2N2O2 and a molecular weight of 449.42 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
PubChem CID17294777
Molecular FormulaC24H30Cl2N2O2
Molecular Weight449.42 g/mol
Exact Mass448.17
IUPAC Name2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
SMILESCl.Cl.c1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1
InChIInChI=1S/C24H28N2O2.2ClH/c1-2-6-20(7-3-1)19-28-24-11-10-21-8-4-5-9-22(21)23(24)18-25-12-13-26-14-16-27-17-15-26;;/h1-11,25H,12-19H2;2*1H
InChIKeyNMHNBJPQMYQSAE-UHFFFAOYSA-N
XLogP4.68
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.42
LogP ≤ 54.68
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-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
CID 6603331
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159776
N-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159778
N-[(2-methoxynaphthalen-1-yl)methyl]-3-morpholin-4-ylpropan-1-amine chloride
CID 53350960
N',N'-dimethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294780
N-methyl-N'-[(2-phenylmethoxynaphthalen-1-yl)methyl]propane-1,3-diamine;dihydrochloride
CID 17294784
3-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]butan-1-amine;hydrochloride
CID 17210424
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methyl]-2-phenylethanamine
CID 4715865
2-(4-chlorophenyl)-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine
CID 17208421
N',N'-diethyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294781
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6471431
2-methyl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]propan-1-amine;hydrochloride
CID 17291277

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride?
The IUPAC name of 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride (CID 17294777) is 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride?
The canonical SMILES for 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride is Cl.Cl.c1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride?
The InChIKey is NMHNBJPQMYQSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2.2ClH/c1-2-6-20(7-3-1)19-28-24-11-10-21-8-4-5-9-22(21)23(24)18-25-12-13-26-14-16-27-17-15-26;;/h1-11,25H,12-19H2;2*1H.
What are the key properties of 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride?
2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride has a molecular weight of 449.42 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride is sourced from PubChem (CID 17294777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).