3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol

C14H20BrNO — CID 83177483

IUPAC3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
SMILESCC(CCO)NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO/c1-10(5-6-17)16-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,16-17H,5-6,8-9H2,1H3
InChIKeyHNXVXTVPRPZFJM-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.06
Rot. Bonds5

About 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol

3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol (PubChem CID 83177483) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
PubChem CID83177483
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
SMILESCC(CCO)NC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C14H20BrNO/c1-10(5-6-17)16-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,16-17H,5-6,8-9H2,1H3
InChIKeyHNXVXTVPRPZFJM-UHFFFAOYSA-N
XLogP3.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol (CID 83177483) is 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol is CC(CCO)NC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is HNXVXTVPRPZFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-10(5-6-17)16-14-8-12(9-14)11-3-2-4-13(15)7-11/h2-4,7,10,12,14,16-17H,5-6,8-9H2,1H3.
What are the key properties of 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol?
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 298.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 83177483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).