3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

C15H21BrClNO — CID 66357740

IUPAC3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Cl)cc2Br)C1(C)C
InChIInChI=1S/C15H21BrClNO/c1-4-7-18-13-9-14(15(13,2)3)19-12-6-5-10(17)8-11(12)16/h5-6,8,13-14,18H,4,7,9H2,1-3H3
InChIKeyZYLYKTMBJLSHOT-UHFFFAOYSA-N
MW346.70 g/mol
LogP4.65
Rot. Bonds5

About 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine

3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (PubChem CID 66357740) has the molecular formula C15H21BrClNO and a molecular weight of 346.70 g/mol. Its IUPAC name is 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
PubChem CID66357740
Molecular FormulaC15H21BrClNO
Molecular Weight346.70 g/mol
Exact Mass345.05
IUPAC Name3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Cl)cc2Br)C1(C)C
InChIInChI=1S/C15H21BrClNO/c1-4-7-18-13-9-14(15(13,2)3)19-12-6-5-10(17)8-11(12)16/h5-6,8,13-14,18H,4,7,9H2,1-3H3
InChIKeyZYLYKTMBJLSHOT-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.70
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66350962
3-(5-bromo-2-fluorophenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 114677211
3-(2,4-dibromophenoxy)-N,2,2-trimethylcyclobutan-1-amine
CID 66352255
3-(3-ethoxyphenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66352890
3-(2-chloro-4-methylphenoxy)-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66351139
2,2-dimethyl-N-propyl-3-quinolin-5-yloxycyclobutan-1-amine
CID 103046085
2,2-dimethyl-3-(3-methyl-2-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 66358081
N-[2-(2,4-dichlorophenyl)ethyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 64853256

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine (CID 66357740) is 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(Cl)cc2Br)C1(C)C.
What is the InChIKey of 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
The InChIKey is ZYLYKTMBJLSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO/c1-4-7-18-13-9-14(15(13,2)3)19-12-6-5-10(17)8-11(12)16/h5-6,8,13-14,18H,4,7,9H2,1-3H3.
What are the key properties of 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine?
3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine has a molecular weight of 346.70 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chlorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 66357740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).