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

C21H30N2O2 — CID 142915009

IUPACN-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
SMILESCCN(Cc1ccc(OCCN(C)CCOC)cc1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-4-23(20-8-6-5-7-9-20)18-19-10-12-21(13-11-19)25-17-15-22(2)14-16-24-3/h5-13H,4,14-18H2,1-3H3
InChIKeyBHBPSASUVCZBJQ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.67
Rot. Bonds11

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

N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline (PubChem CID 142915009) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
PubChem CID142915009
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
SMILESCCN(Cc1ccc(OCCN(C)CCOC)cc1)c1ccccc1
InChIInChI=1S/C21H30N2O2/c1-4-23(20-8-6-5-7-9-20)18-19-10-12-21(13-11-19)25-17-15-22(2)14-16-24-3/h5-13H,4,14-18H2,1-3H3
InChIKeyBHBPSASUVCZBJQ-UHFFFAOYSA-N
XLogP3.67
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methoxy-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline
CID 142915240
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-N-ethylaniline;5,6,7,8-tetrahydronaphthalen-2-ol
CID 142915212
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-ethylaniline
CID 43253527
N'-ethyl-N-[(4-methoxyphenyl)methyl]-N-methyl-N'-phenylethane-1,2-diamine
CID 54566866
3-methoxy-N-methyl-N-(2-phenoxyethyl)propan-1-amine
CID 87013054
N-[2-(4-bromophenoxy)ethyl]-N-ethylaniline
CID 55026790
2-[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]acetonitrile
CID 61427477
[4-[2-(N-ethylanilino)ethoxy]phenyl]-trimethylazanium
CID 54226224
2-methoxy-N-[[4-[[2-methoxyethyl(methyl)amino]methyl]phenyl]methyl]-N-methylethanamine
CID 171480765
N-[(4-bromophenyl)methyl]-N-ethylaniline
CID 60683468
1-[4-(2-methoxyethoxy)phenyl]-N,N-dimethylmethanamine
CID 166879761
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
The IUPAC name of N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline (CID 142915009) is N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline.
What is the SMILES notation for N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
The canonical SMILES for N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline is CCN(Cc1ccc(OCCN(C)CCOC)cc1)c1ccccc1.
What is the InChIKey of N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
The InChIKey is BHBPSASUVCZBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-4-23(20-8-6-5-7-9-20)18-19-10-12-21(13-11-19)25-17-15-22(2)14-16-24-3/h5-13H,4,14-18H2,1-3H3.
What are the key properties of N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline?
N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline has a molecular weight of 342.48 g/mol, XLogP of 3.67, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]aniline is sourced from PubChem (CID 142915009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).