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

C11H13Cl2NO — CID 106821242

IUPAC2,5-dichloro-N-(3-methoxycyclobutyl)aniline
SMILESCOC1CC(Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H13Cl2NO/c1-15-9-5-8(6-9)14-11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyFRLGYADVMWNSRK-UHFFFAOYSA-N
MW246.14 g/mol
LogP3.58
Rot. Bonds3

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

2,5-dichloro-N-(3-methoxycyclobutyl)aniline (PubChem CID 106821242) has the molecular formula C11H13Cl2NO and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-methoxycyclobutyl)aniline.

Molecular Properties

Compound Name2,5-dichloro-N-(3-methoxycyclobutyl)aniline
PubChem CID106821242
Molecular FormulaC11H13Cl2NO
Molecular Weight246.14 g/mol
Exact Mass245.04
IUPAC Name2,5-dichloro-N-(3-methoxycyclobutyl)aniline
SMILESCOC1CC(Nc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C11H13Cl2NO/c1-15-9-5-8(6-9)14-11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3
InChIKeyFRLGYADVMWNSRK-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870518
4-chloro-2-fluoro-N-(3-methoxycyclobutyl)aniline
CID 106821360
2-chloro-N-(3-methoxycyclobutyl)-5-methylsulfonylaniline
CID 106821322
2,5-dichloro-N-[3-(4-methylphenyl)cyclobutyl]aniline
CID 43632803
2-fluoro-5-methoxy-N-(3-methoxycyclobutyl)aniline
CID 104870482
2,3,4-trifluoro-N-(3-methoxycyclobutyl)aniline
CID 106821253
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
2,5-dichloro-N-[4-(trifluoromethyl)cyclohexyl]aniline
CID 64754843
2,5-dichloro-N-(3,3,5-trimethylcyclohexyl)aniline
CID 63418656
N-(2,5-dichlorophenyl)oxepan-4-amine
CID 65076765
6-chloro-5-[(3-methoxycyclobutyl)amino]-1,3-dihydroindol-2-one
CID 106821342
N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
CID 43632805

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-methoxycyclobutyl)aniline?
The IUPAC name of 2,5-dichloro-N-(3-methoxycyclobutyl)aniline (CID 106821242) is 2,5-dichloro-N-(3-methoxycyclobutyl)aniline.
What is the SMILES notation for 2,5-dichloro-N-(3-methoxycyclobutyl)aniline?
The canonical SMILES for 2,5-dichloro-N-(3-methoxycyclobutyl)aniline is COC1CC(Nc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2,5-dichloro-N-(3-methoxycyclobutyl)aniline?
The InChIKey is FRLGYADVMWNSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NO/c1-15-9-5-8(6-9)14-11-4-7(12)2-3-10(11)13/h2-4,8-9,14H,5-6H2,1H3.
What are the key properties of 2,5-dichloro-N-(3-methoxycyclobutyl)aniline?
2,5-dichloro-N-(3-methoxycyclobutyl)aniline has a molecular weight of 246.14 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-methoxycyclobutyl)aniline is sourced from PubChem (CID 106821242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).