3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline

C17H18ClNO — CID 43633435

IUPAC3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccc(C2CC(Nc3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C17H18ClNO/c1-20-17-7-5-12(6-8-17)13-9-16(10-13)19-15-4-2-3-14(18)11-15/h2-8,11,13,16,19H,9-10H2,1H3
InChIKeyXDCDLFPVFGBCBT-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.71
Rot. Bonds4

About 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline

3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline (PubChem CID 43633435) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
PubChem CID43633435
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
SMILESCOc1ccc(C2CC(Nc3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C17H18ClNO/c1-20-17-7-5-12(6-8-17)13-9-16(10-13)19-15-4-2-3-14(18)11-15/h2-8,11,13,16,19H,9-10H2,1H3
InChIKeyXDCDLFPVFGBCBT-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

3-ethyl-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633885
3,5-difluoro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline
CID 43633870
N-[3-(4-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635060
N-[3-(4-methoxyphenyl)cyclobutyl]thiophen-3-amine
CID 66352292
N-[3-(3-chlorophenyl)cyclobutyl]-3-iodoaniline
CID 43635064
N-[3-(3-chlorophenyl)cyclobutyl]-3-fluoroaniline
CID 43633459
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
3-chloro-N-(3-ethoxycyclobutyl)aniline
CID 112568351
2,4-dichloro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633015
N-(3-chlorophenyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43094337
N-[3-(4-methoxyphenyl)cyclobutyl]-2-methylsulfanylaniline
CID 43683508

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The IUPAC name of 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline (CID 43633435) is 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline.
What is the SMILES notation for 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The canonical SMILES for 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline is COc1ccc(C2CC(Nc3cccc(Cl)c3)C2)cc1.
What is the InChIKey of 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
The InChIKey is XDCDLFPVFGBCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-20-17-7-5-12(6-8-17)13-9-16(10-13)19-15-4-2-3-14(18)11-15/h2-8,11,13,16,19H,9-10H2,1H3.
What are the key properties of 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline?
3-chloro-N-[3-(4-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 3-chloro-N-[3-(4-methoxyphenyl)cyclobutyl]aniline is sourced from PubChem (CID 43633435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).