N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline

C18H24N2O2 — CID 110455054

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C18H24N2O2/c1-19(2)13-14-22-18-11-7-16(8-12-18)20(3)15-5-9-17(21-4)10-6-15/h5-12H,13-14H2,1-4H3
InChIKeyWNRQBKZEFILCCO-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.40
Rot. Bonds7

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline

N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline (PubChem CID 110455054) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
PubChem CID110455054
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline
SMILESCOc1ccc(N(C)c2ccc(OCCN(C)C)cc2)cc1
InChIInChI=1S/C18H24N2O2/c1-19(2)13-14-22-18-11-7-16(8-12-18)20(3)15-5-9-17(21-4)10-6-15/h5-12H,13-14H2,1-4H3
InChIKeyWNRQBKZEFILCCO-UHFFFAOYSA-N
XLogP3.40
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
4-methoxy-N-(4-methoxyphenyl)-N-methylaniline;hydrochloride
CID 175476332
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 60686611
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
[bis[2-(4-methoxyphenoxy)ethyl]amino]methanedithiol
CID 58131449
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
N-[2-(4-methoxyphenoxy)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 55024417
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)but-1-enyl]phenol
CID 15819111
1-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-bis(4-methoxyphenyl)butan-1-ol
CID 3027738
2-bromo-N-[2-(4-methoxyphenoxy)ethyl]-N-methylpropan-1-amine
CID 80666794
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline (CID 110455054) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline is COc1ccc(N(C)c2ccc(OCCN(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline?
The InChIKey is WNRQBKZEFILCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-19(2)13-14-22-18-11-7-16(8-12-18)20(3)15-5-9-17(21-4)10-6-15/h5-12H,13-14H2,1-4H3.
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline has a molecular weight of 300.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-methoxy-N-methylaniline is sourced from PubChem (CID 110455054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).