2,5-dichloro-N-(3,3-dimethylbutyl)aniline

C12H17Cl2N — CID 63418303

IUPAC2,5-dichloro-N-(3,3-dimethylbutyl)aniline
SMILESCC(C)(C)CCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-12(2,3)6-7-15-11-8-9(13)4-5-10(11)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCXIBUXWRSNHKLF-UHFFFAOYSA-N
MW246.18 g/mol
LogP4.84
Rot. Bonds3

About 2,5-dichloro-N-(3,3-dimethylbutyl)aniline

2,5-dichloro-N-(3,3-dimethylbutyl)aniline (PubChem CID 63418303) has the molecular formula C12H17Cl2N and a molecular weight of 246.18 g/mol. Its IUPAC name is 2,5-dichloro-N-(3,3-dimethylbutyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(3,3-dimethylbutyl)aniline
PubChem CID63418303
Molecular FormulaC12H17Cl2N
Molecular Weight246.18 g/mol
Exact Mass245.07
IUPAC Name2,5-dichloro-N-(3,3-dimethylbutyl)aniline
SMILESCC(C)(C)CCNc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H17Cl2N/c1-12(2,3)6-7-15-11-8-9(13)4-5-10(11)14/h4-5,8,15H,6-7H2,1-3H3
InChIKeyCXIBUXWRSNHKLF-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-(3,3-dimethylbutyl)-2-methylaniline
CID 63420169
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
2,5-dichloro-N-(3,3-dimethylbutyl)-4-methylaniline
CID 104726565
4-chloro-N-(3,3-dimethylbutyl)aniline
CID 63422383
N-(2,3-dichlorophenyl)-N'-(2,5-dichlorophenyl)ethane-1,2-diamine
CID 54809670
2-chloro-N-(3,3-dimethylbutyl)-4-fluoroaniline
CID 63425145
2,5-dichloro-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]aniline
CID 104561306
2,5-dichloro-N-[2-(2-methylpropoxy)ethyl]aniline
CID 106451146
2,5-dichloro-N-(3,3-diethoxypropyl)aniline
CID 81093702
2,5-dichloro-N-(3-phenylpropyl)aniline
CID 29049060
2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
N-(3,3-dimethylbutyl)-2-fluoro-5-methylaniline
CID 60679773

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3,3-dimethylbutyl)aniline?
The IUPAC name of 2,5-dichloro-N-(3,3-dimethylbutyl)aniline (CID 63418303) is 2,5-dichloro-N-(3,3-dimethylbutyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(3,3-dimethylbutyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(3,3-dimethylbutyl)aniline is CC(C)(C)CCNc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3,3-dimethylbutyl)aniline?
The InChIKey is CXIBUXWRSNHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2N/c1-12(2,3)6-7-15-11-8-9(13)4-5-10(11)14/h4-5,8,15H,6-7H2,1-3H3.
What are the key properties of 2,5-dichloro-N-(3,3-dimethylbutyl)aniline?
2,5-dichloro-N-(3,3-dimethylbutyl)aniline has a molecular weight of 246.18 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3,3-dimethylbutyl)aniline is sourced from PubChem (CID 63418303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).