N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline

C22H32N2O3 — CID 142915240

IUPACN-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
SMILESCCN(Cc1ccc(OCCN(C)CCOC)cc1)c1cccc(OC)c1
InChIInChI=1S/C22H32N2O3/c1-5-24(20-7-6-8-22(17-20)26-4)18-19-9-11-21(12-10-19)27-16-14-23(2)13-15-25-3/h6-12,17H,5,13-16,18H2,1-4H3
InChIKeyHPMGNBDMPVMXMD-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.68
Rot. Bonds12

About N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline

N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline (PubChem CID 142915240) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
PubChem CID142915240
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
SMILESCCN(Cc1ccc(OCCN(C)CCOC)cc1)c1cccc(OC)c1
InChIInChI=1S/C22H32N2O3/c1-5-24(20-7-6-8-22(17-20)26-4)18-19-9-11-21(12-10-19)27-16-14-23(2)13-15-25-3/h6-12,17H,5,13-16,18H2,1-4H3
InChIKeyHPMGNBDMPVMXMD-UHFFFAOYSA-N
XLogP3.68
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915009
N-ethyl-3-methoxy-N-[[6-[2-[methyl(pentyl)amino]ethoxy]-3-pyridinyl]methyl]aniline
CID 142914977
2-[4-[(N-ethyl-3-methoxyanilino)methyl]phenyl]acetaldehyde
CID 155065101
N-[[4-[2-(dimethylamino)-2-methylpropyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915130
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
3-N-ethyl-3-N-[(4-methoxyphenyl)methyl]benzene-1,3-diamine
CID 39358271
N-hexyl-3-methoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 138518668
3-[2-(dimethylamino)ethoxy]-N,N-diethylaniline
CID 141318125
N-ethyl-3-methoxy-N-[[4-[2-methyl-1-(methylamino)propan-2-yl]phenyl]methyl]aniline
CID 142915296
N-[[3-fluoro-4-[2-[methyl(propyl)amino]ethoxy]phenyl]methyl]-3-methoxy-N-methylaniline
CID 142915200
acetylene;N-ethyl-N-[[4-[2-[ethyl(methyl)amino]ethoxy]-3-fluorophenyl]methyl]-3-methoxyaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915002
N-[[4-[2-(cyclohexylamino)ethyl]phenyl]methyl]-N-ethyl-3-methoxyaniline
CID 142915017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
The IUPAC name of N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline (CID 142915240) is N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
The canonical SMILES for N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline is CCN(Cc1ccc(OCCN(C)CCOC)cc1)c1cccc(OC)c1.
What is the InChIKey of N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
The InChIKey is HPMGNBDMPVMXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-5-24(20-7-6-8-22(17-20)26-4)18-19-9-11-21(12-10-19)27-16-14-23(2)13-15-25-3/h6-12,17H,5,13-16,18H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline has a molecular weight of 372.51 g/mol, XLogP of 3.68, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline is sourced from PubChem (CID 142915240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).