2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline

C17H17Cl2NO — CID 43634904

IUPAC2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccccc1C1CC(Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H17Cl2NO/c1-21-16-8-3-2-5-13(16)11-9-12(10-11)20-15-7-4-6-14(18)17(15)19/h2-8,11-12,20H,9-10H2,1H3
InChIKeyMBWXRCAHHJDIHD-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.36
Rot. Bonds4

About 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline

2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43634904) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
PubChem CID43634904
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccccc1C1CC(Nc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C17H17Cl2NO/c1-21-16-8-3-2-5-13(16)11-9-12(10-11)20-15-7-4-6-14(18)17(15)19/h2-8,11-12,20H,9-10H2,1H3
InChIKeyMBWXRCAHHJDIHD-UHFFFAOYSA-N
XLogP5.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.24
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43633569
2-chloro-4-iodo-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43733805
2-methoxy-N-[3-(2-methoxyphenyl)cyclobutyl]pyridin-3-amine
CID 43721955
4-iodo-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43635039
4-bromo-N-[3-(2-chlorophenyl)cyclobutyl]-3-methoxyaniline
CID 82859728
N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine
CID 79091157
2,3-dichloro-N-(2-methoxyphenyl)aniline
CID 82537063
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635005
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
2-[[3-(2-chlorophenyl)cyclobutyl]amino]-6-methylbenzonitrile
CID 107803326
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline (CID 43634904) is 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline is COc1ccccc1C1CC(Nc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is MBWXRCAHHJDIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-21-16-8-3-2-5-13(16)11-9-12(10-11)20-15-7-4-6-14(18)17(15)19/h2-8,11-12,20H,9-10H2,1H3.
What are the key properties of 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline has a molecular weight of 322.24 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43634904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).