3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol

C16H16BrNO — CID 43634745

IUPAC3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
SMILESOc1cccc(NC2CC(c3ccccc3Br)C2)c1
InChIInChI=1S/C16H16BrNO/c17-16-7-2-1-6-15(16)11-8-13(9-11)18-12-4-3-5-14(19)10-12/h1-7,10-11,13,18-19H,8-9H2
InChIKeyXKQSZMWTSRAMJR-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.51
Rot. Bonds3

About 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol

3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol (PubChem CID 43634745) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol.

Molecular Properties

Compound Name3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
PubChem CID43634745
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol
SMILESOc1cccc(NC2CC(c3ccccc3Br)C2)c1
InChIInChI=1S/C16H16BrNO/c17-16-7-2-1-6-15(16)11-8-13(9-11)18-12-4-3-5-14(19)10-12/h1-7,10-11,13,18-19H,8-9H2
InChIKeyXKQSZMWTSRAMJR-UHFFFAOYSA-N
XLogP4.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-bromophenyl)cyclobutyl]-3-ethoxyaniline
CID 63452973
2,4,6-tribromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 63425206
4-bromo-N-[3-(2-bromophenyl)cyclobutyl]-3-methoxyaniline
CID 82859860
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]aniline
CID 43633521
N-[3-(2-bromophenyl)cyclobutyl]-1-benzothiophen-5-amine
CID 43687891
N-[3-(2-bromophenyl)cyclobutyl]-4-propan-2-ylaniline
CID 43633251
N-[3-(2-bromophenyl)cyclobutyl]-4-methylsulfanylaniline
CID 43633071
N-[3-(2-bromophenyl)cyclobutyl]-1H-pyrazol-4-amine
CID 43635550
2-bromo-N-[3-(2-bromophenyl)cyclobutyl]-4-chloroaniline
CID 81262120
N-[3-(2-chlorophenyl)cyclobutyl]-3-methylaniline
CID 43632546
N-[3-(2-bromophenyl)cyclobutyl]-2,4-dichloroaniline
CID 43633020
N-[3-(2-bromophenyl)cyclobutyl]-2,5-dimethylaniline
CID 43634016

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol?
The IUPAC name of 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol (CID 43634745) is 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol.
What is the SMILES notation for 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol?
The canonical SMILES for 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol is Oc1cccc(NC2CC(c3ccccc3Br)C2)c1.
What is the InChIKey of 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol?
The InChIKey is XKQSZMWTSRAMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-16-7-2-1-6-15(16)11-8-13(9-11)18-12-4-3-5-14(19)10-12/h1-7,10-11,13,18-19H,8-9H2.
What are the key properties of 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol?
3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol has a molecular weight of 318.21 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-bromophenyl)cyclobutyl]amino]phenol is sourced from PubChem (CID 43634745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).