2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline

C17H18ClNO — CID 43633569

IUPAC2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccccc1C1CC(Nc2ccccc2Cl)C1
InChIInChI=1S/C17H18ClNO/c1-20-17-9-5-2-6-14(17)12-10-13(11-12)19-16-8-4-3-7-15(16)18/h2-9,12-13,19H,10-11H2,1H3
InChIKeyOJJNQSYVHWKZFW-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.71
Rot. Bonds4

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

2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43633569) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
PubChem CID43633569
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccccc1C1CC(Nc2ccccc2Cl)C1
InChIInChI=1S/C17H18ClNO/c1-20-17-9-5-2-6-14(17)12-10-13(11-12)19-16-8-4-3-7-15(16)18/h2-9,12-13,19H,10-11H2,1H3
InChIKeyOJJNQSYVHWKZFW-UHFFFAOYSA-N
XLogP4.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dichloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline
CID 43634904
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
2-chloro-N-(3-methylcyclobutyl)aniline
CID 104860161
N-[3-(2-methoxyphenyl)cyclobutyl]pyrrol-1-amine
CID 79091157
2-[[[3-(2-methoxyphenyl)cyclobutyl]amino]methyl]phenol
CID 115619481
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635005
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-benzyl-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632771
N-(2-chlorophenyl)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-amine
CID 7366693

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline (CID 43633569) is 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline is COc1ccccc1C1CC(Nc2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is OJJNQSYVHWKZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-17-9-5-2-6-14(17)12-10-13(11-12)19-16-8-4-3-7-15(16)18/h2-9,12-13,19H,10-11H2,1H3.
What are the key properties of 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline?
2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline has a molecular weight of 287.79 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).