2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline

C17H17Cl2NO — CID 43633015

IUPAC2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1cccc(C2CC(Nc3ccc(Cl)cc3Cl)C2)c1
InChIInChI=1S/C17H17Cl2NO/c1-21-15-4-2-3-11(9-15)12-7-14(8-12)20-17-6-5-13(18)10-16(17)19/h2-6,9-10,12,14,20H,7-8H2,1H3
InChIKeyVRXNDORYWNYFRB-UHFFFAOYSA-N
MW322.24 g/mol
LogP5.36
Rot. Bonds4

About 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline

2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43633015) has the molecular formula C17H17Cl2NO and a molecular weight of 322.24 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
PubChem CID43633015
Molecular FormulaC17H17Cl2NO
Molecular Weight322.24 g/mol
Exact Mass321.07
IUPAC Name2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1cccc(C2CC(Nc3ccc(Cl)cc3Cl)C2)c1
InChIInChI=1S/C17H17Cl2NO/c1-21-15-4-2-3-11(9-15)12-7-14(8-12)20-17-6-5-13(18)10-16(17)19/h2-6,9-10,12,14,20H,7-8H2,1H3
InChIKeyVRXNDORYWNYFRB-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-bromo-3-chloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 103478343
2,4-difluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633711
3-bromo-N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylaniline
CID 107630084
2,5-dibromo-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43736849
2-ethyl-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633801
5-chloro-N-[3-(3-chlorophenyl)cyclobutyl]-2-fluoroaniline
CID 43635416
4-bromo-N-[3-(3-bromophenyl)cyclobutyl]-2-chloroaniline
CID 43635239
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633435
N-[3-(3-bromophenyl)cyclobutyl]-2,5-dichloroaniline
CID 43632805
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
N-[3-(3-chlorophenyl)cyclobutyl]-2-(methoxymethyl)aniline
CID 43678042

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline (CID 43633015) is 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline is COc1cccc(C2CC(Nc3ccc(Cl)cc3Cl)C2)c1.
What is the InChIKey of 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is VRXNDORYWNYFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO/c1-21-15-4-2-3-11(9-15)12-7-14(8-12)20-17-6-5-13(18)10-16(17)19/h2-6,9-10,12,14,20H,7-8H2,1H3.
What are the key properties of 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline?
2,4-dichloro-N-[3-(3-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 2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).