N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine

C23H32N2O3 — CID 78825398

IUPACN-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESCCOc1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1OCC
InChIInChI=1S/C23H32N2O3/c1-3-27-22-11-10-19(16-23(22)28-4-2)17-24-21(20-8-6-5-7-9-20)18-25-12-14-26-15-13-25/h5-11,16,21,24H,3-4,12-15,17-18H2,1-2H3
InChIKeyIUHJABGSJNHPNF-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.65
Rot. Bonds10

About N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine

N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine (PubChem CID 78825398) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine.

Molecular Properties

Compound NameN-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
PubChem CID78825398
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC NameN-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
SMILESCCOc1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1OCC
InChIInChI=1S/C23H32N2O3/c1-3-27-22-11-10-19(16-23(22)28-4-2)17-24-21(20-8-6-5-7-9-20)18-25-12-14-26-15-13-25/h5-11,16,21,24H,3-4,12-15,17-18H2,1-2H3
InChIKeyIUHJABGSJNHPNF-UHFFFAOYSA-N
XLogP3.65
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 86879709
N-[(3,4-dichlorophenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 78823600
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
N-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)-1-phenylethanamine
CID 86886112
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 17289415
N-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-morpholin-4-yl-1-phenylethanamine
CID 112804329
N-[(3-ethoxy-4-prop-2-enoxyphenyl)methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156010
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 119125069
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylbutan-1-amine;hydrochloride
CID 17156511
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
2-ethoxy-4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]phenol
CID 107862653
3-ethoxy-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 39835171

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The IUPAC name of N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine (CID 78825398) is N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine.
What is the SMILES notation for N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The canonical SMILES for N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine is CCOc1ccc(CNC(CN2CCOCC2)c2ccccc2)cc1OCC.
What is the InChIKey of N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
The InChIKey is IUHJABGSJNHPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-3-27-22-11-10-19(16-23(22)28-4-2)17-24-21(20-8-6-5-7-9-20)18-25-12-14-26-15-13-25/h5-11,16,21,24H,3-4,12-15,17-18H2,1-2H3.
What are the key properties of N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine?
N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine has a molecular weight of 384.52 g/mol, XLogP of 3.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-diethoxyphenyl)methyl]-2-morpholin-4-yl-1-phenylethanamine is sourced from PubChem (CID 78825398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).