3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline

C12H17Cl2NO — CID 82552173

IUPAC3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
SMILESCCNc1cc(Cl)cc(Cl)c1OCC(C)C
InChIInChI=1S/C12H17Cl2NO/c1-4-15-11-6-9(13)5-10(14)12(11)16-7-8(2)3/h5-6,8,15H,4,7H2,1-3H3
InChIKeyUUEDQVOJNIYYEL-UHFFFAOYSA-N
MW262.18 g/mol
LogP4.46
Rot. Bonds5

About 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline

3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline (PubChem CID 82552173) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
PubChem CID82552173
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline
SMILESCCNc1cc(Cl)cc(Cl)c1OCC(C)C
InChIInChI=1S/C12H17Cl2NO/c1-4-15-11-6-9(13)5-10(14)12(11)16-7-8(2)3/h5-6,8,15H,4,7H2,1-3H3
InChIKeyUUEDQVOJNIYYEL-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-N-ethyl-2-methoxyaniline
CID 82267013
5-chloro-N-ethyl-4-methyl-2-(2-methylpropoxy)aniline
CID 82265223
2-chloro-N-ethyl-4-(2-methylpropoxy)aniline
CID 82551741
N-ethyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
CID 63499435
5-chloro-N-ethyl-2-methoxy-3-nitroaniline
CID 96709795
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
N-methyl-1-(2,4,6-trichlorophenoxy)pentan-2-amine
CID 62043427
(3,5-dichloro-2-methoxyanilino)methanol
CID 115228694
N-[[3,5-dichloro-2-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 54939665
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
N-[(E)-[3,5-dichloro-4-(2-methylpropoxy)phenyl]methylideneamino]-N-methylmethanamine
CID 110507434

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline?
The IUPAC name of 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline (CID 82552173) is 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline.
What is the SMILES notation for 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline?
The canonical SMILES for 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline is CCNc1cc(Cl)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline?
The InChIKey is UUEDQVOJNIYYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-4-15-11-6-9(13)5-10(14)12(11)16-7-8(2)3/h5-6,8,15H,4,7H2,1-3H3.
What are the key properties of 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline?
3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline has a molecular weight of 262.18 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-2-(2-methylpropoxy)aniline is sourced from PubChem (CID 82552173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).