3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine

C16H18BrNO — CID 66357735

IUPAC3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C16H18BrNO/c1-2-18-14-9-16(10-14)19-15-6-4-11-7-13(17)5-3-12(11)8-15/h3-8,14,16,18H,2,9-10H2,1H3
InChIKeyAIEVONCFBACZSM-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.12
Rot. Bonds4

About 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine

3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine (PubChem CID 66357735) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine
PubChem CID66357735
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C16H18BrNO/c1-2-18-14-9-16(10-14)19-15-6-4-11-7-13(17)5-3-12(11)8-15/h3-8,14,16,18H,2,9-10H2,1H3
InChIKeyAIEVONCFBACZSM-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine (CID 66357735) is 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine is CCNC1CC(Oc2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine?
The InChIKey is AIEVONCFBACZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-2-18-14-9-16(10-14)19-15-6-4-11-7-13(17)5-3-12(11)8-15/h3-8,14,16,18H,2,9-10H2,1H3.
What are the key properties of 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine?
3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 66357735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).