3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine

C18H22BrNO — CID 66352422

IUPAC3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc3ccccc3c2Br)C1(C)C
InChIInChI=1S/C18H22BrNO/c1-4-20-15-11-16(18(15,2)3)21-14-10-9-12-7-5-6-8-13(12)17(14)19/h5-10,15-16,20H,4,11H2,1-3H3
InChIKeyXWIUKTMXMMTDDS-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.76
Rot. Bonds4

About 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine

3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine (PubChem CID 66352422) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
PubChem CID66352422
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC Name3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc3ccccc3c2Br)C1(C)C
InChIInChI=1S/C18H22BrNO/c1-4-20-15-11-16(18(15,2)3)21-14-10-9-12-7-5-6-8-13(12)17(14)19/h5-10,15-16,20H,4,11H2,1-3H3
InChIKeyXWIUKTMXMMTDDS-UHFFFAOYSA-N
XLogP4.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene
CID 66346237
N-ethyl-3-(2-methoxyphenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358543
N-ethyl-2,2-dimethyl-3-(2-propan-2-ylphenoxy)cyclobutan-1-amine
CID 66359159
3-(2,6-dichlorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357271
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66357294
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
N-ethyl-3-(2-methoxy-5-nitrophenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66358965
1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64747702
3-(3-bromo-5-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 81326572

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine (CID 66352422) is 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine is CCNC1CC(Oc2ccc3ccccc3c2Br)C1(C)C.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine?
The InChIKey is XWIUKTMXMMTDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-15-11-16(18(15,2)3)21-14-10-9-12-7-5-6-8-13(12)17(14)19/h5-10,15-16,20H,4,11H2,1-3H3.
What are the key properties of 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine?
3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66352422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).