3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine

C18H28BrNO — CID 82808639

IUPAC3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccc(Br)cc2)C1(CC)CC
InChIInChI=1S/C18H28BrNO/c1-4-11-20-16-12-17(18(16,5-2)6-3)21-13-14-7-9-15(19)10-8-14/h7-10,16-17,20H,4-6,11-13H2,1-3H3
InChIKeyVYPFLCVURQQEQR-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.91
Rot. Bonds8

About 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine

3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine (PubChem CID 82808639) has the molecular formula C18H28BrNO and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
PubChem CID82808639
Molecular FormulaC18H28BrNO
Molecular Weight354.33 g/mol
Exact Mass353.14
IUPAC Name3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2ccc(Br)cc2)C1(CC)CC
InChIInChI=1S/C18H28BrNO/c1-4-11-20-16-12-17(18(16,5-2)6-3)21-13-14-7-9-15(19)10-8-14/h7-10,16-17,20H,4-6,11-13H2,1-3H3
InChIKeyVYPFLCVURQQEQR-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-bromophenyl)methoxy]-N-propylspiro[3.4]octan-1-amine
CID 82807037
3-[(4-bromophenyl)methoxy]-2,2-diethylcyclobutan-1-ol
CID 82825677
3-[(4-chlorophenyl)methoxy]-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66350962
3-(2-ethoxyethoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66359597
3-butoxy-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66356852
3-[(3-bromophenyl)methoxy]-2,2-diethyl-N-methylcyclobutan-1-amine
CID 82825839
2,2-diethyl-3-(2-methoxyethoxy)-N-propylcyclobutan-1-amine
CID 66357579
2,2-diethyl-3-(3-methylbutoxy)-N-propylcyclobutan-1-amine
CID 66359399
2,2-diethyl-3-(3-methoxypropoxy)-N-propylcyclobutan-1-amine
CID 66353076
2-[(4-bromophenyl)methoxy]-N-propylcyclohexan-1-amine
CID 82832119
2-[(4-bromophenyl)methoxy]-N-propylcycloheptan-1-amine
CID 82831438
3-(2,6-dichlorophenoxy)-2,2-diethyl-N-propylcyclobutan-1-amine
CID 66357264

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine (CID 82808639) is 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine is CCCNC1CC(OCc2ccc(Br)cc2)C1(CC)CC.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine?
The InChIKey is VYPFLCVURQQEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNO/c1-4-11-20-16-12-17(18(16,5-2)6-3)21-13-14-7-9-15(19)10-8-14/h7-10,16-17,20H,4-6,11-13H2,1-3H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine?
3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine has a molecular weight of 354.33 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-2,2-diethyl-N-propylcyclobutan-1-amine is sourced from PubChem (CID 82808639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).