N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline

C16H17Cl2NO — CID 43672175

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(13-6-7-15(17)16(18)9-13)19-14-5-3-4-12(8-14)10-20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyMEUFEJMQLKGMBG-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.31
Rot. Bonds5

About N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline

N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline (PubChem CID 43672175) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline
PubChem CID43672175
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NC(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2NO/c1-11(13-6-7-15(17)16(18)9-13)19-14-5-3-4-12(8-14)10-20-2/h3-9,11,19H,10H2,1-2H3
InChIKeyMEUFEJMQLKGMBG-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methoxymethyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]aniline
CID 43778856
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-3-(methoxymethyl)aniline
CID 43778869
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(methoxymethyl)aniline
CID 43778884
3-[1-(3,4-dichlorophenyl)ethylamino]benzonitrile
CID 43106768
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
3-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-4-methoxyaniline
CID 43101909
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
3-[1-(3,4-dichlorophenyl)ethylamino]benzoic acid
CID 43321836
3-(methoxymethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993160
N-[1-(2,5-dimethylphenyl)ethyl]-3-(methoxymethyl)aniline
CID 43672059
3,4-dichloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 43104722
[3-[1-(3-chlorophenyl)ethylamino]phenyl]methanol
CID 43715072

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline (CID 43672175) is N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline is COCc1cccc(NC(C)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline?
The InChIKey is MEUFEJMQLKGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-11(13-6-7-15(17)16(18)9-13)19-14-5-3-4-12(8-14)10-20-2/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline?
N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline has a molecular weight of 310.22 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).