2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline

C12H17Cl2NO — CID 106451146

IUPAC2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
SMILESCC(C)COCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(2)8-16-6-5-15-12-7-10(13)3-4-11(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyZYMOVLILVGNPAK-UHFFFAOYSA-N
MW262.18 g/mol
LogP4.08
Rot. Bonds6

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

2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline (PubChem CID 106451146) has the molecular formula C12H17Cl2NO and a molecular weight of 262.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
PubChem CID106451146
Molecular FormulaC12H17Cl2NO
Molecular Weight262.18 g/mol
Exact Mass261.07
IUPAC Name2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
SMILESCC(C)COCCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2NO/c1-9(2)8-16-6-5-15-12-7-10(13)3-4-11(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyZYMOVLILVGNPAK-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-methoxy-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451352
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
4-bromo-2-chloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451573
1-N,2-N-bis[2-(2-methylpropoxy)ethyl]benzene-1,2-diamine
CID 22457316
5-bromo-2-fluoro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451652
2-chloro-N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)aniline
CID 106452025
4-chloro-2-N-[2-(3-methylbutoxy)ethyl]benzene-1,2-diamine
CID 113315721
4-bromo-2,3-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 107788842
4-bromo-2,6-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451560
2,5-dichloro-N-(3,3-dimethylbutyl)aniline
CID 63418303
2,5-dichloro-N-(3,3-diethoxypropyl)aniline
CID 81093702

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline (CID 106451146) is 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline is CC(C)COCCNc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
The InChIKey is ZYMOVLILVGNPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2NO/c1-9(2)8-16-6-5-15-12-7-10(13)3-4-11(12)14/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline?
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline has a molecular weight of 262.18 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline is sourced from PubChem (CID 106451146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).