N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine

C22H30N2O3 — CID 4719784

IUPACN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cc(CNCCN2CCOCC2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C22H30N2O3/c1-18-4-3-5-20(14-18)17-27-21-7-6-19(15-22(21)25-2)16-23-8-9-24-10-12-26-13-11-24/h3-7,14-15,23H,8-13,16-17H2,1-2H3
InChIKeyOULBDABCHWESKO-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.00
Rot. Bonds9

About N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine

N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine (PubChem CID 4719784) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
PubChem CID4719784
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
SMILESCOc1cc(CNCCN2CCOCC2)ccc1OCc1cccc(C)c1
InChIInChI=1S/C22H30N2O3/c1-18-4-3-5-20(14-18)17-27-21-7-6-19(15-22(21)25-2)16-23-8-9-24-10-12-26-13-11-24/h3-7,14-15,23H,8-13,16-17H2,1-2H3
InChIKeyOULBDABCHWESKO-UHFFFAOYSA-N
XLogP3.00
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17294256
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 4719269
N-ethyl-N'-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]propane-1,3-diamine
CID 17215636
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]octan-1-amine
CID 4722820
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557
N-[(3-chloro-4-phenylmethoxyphenyl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 17159776
N-[[2-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine
CID 66537718
2-[[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]methylamino]ethanol
CID 92925113
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 17293869
N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 4715809
1-(4-fluorophenyl)-N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]methanamine;hydrochloride
CID 17294212
1-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-N-[(2-methoxyphenyl)methyl]methanamine
CID 17208191

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine (CID 4719784) is N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine is COc1cc(CNCCN2CCOCC2)ccc1OCc1cccc(C)c1.
What is the InChIKey of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
The InChIKey is OULBDABCHWESKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-18-4-3-5-20(14-18)17-27-21-7-6-19(15-22(21)25-2)16-23-8-9-24-10-12-26-13-11-24/h3-7,14-15,23H,8-13,16-17H2,1-2H3.
What are the key properties of N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine?
N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine has a molecular weight of 370.49 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 4719784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).