3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine

C17H26BrNO2 — CID 107943815

IUPAC3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2cccc(Br)c2)C1OCCC
InChIInChI=1S/C17H26BrNO2/c1-3-8-19-15-11-16(17(15)20-9-4-2)21-12-13-6-5-7-14(18)10-13/h5-7,10,15-17,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyRHDBVSKGQRZPEC-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.90
Rot. Bonds9

About 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine

3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine (PubChem CID 107943815) has the molecular formula C17H26BrNO2 and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
PubChem CID107943815
Molecular FormulaC17H26BrNO2
Molecular Weight356.30 g/mol
Exact Mass355.11
IUPAC Name3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OCc2cccc(Br)c2)C1OCCC
InChIInChI=1S/C17H26BrNO2/c1-3-8-19-15-11-16(17(15)20-9-4-2)21-12-13-6-5-7-14(18)10-13/h5-7,10,15-17,19H,3-4,8-9,11-12H2,1-2H3
InChIKeyRHDBVSKGQRZPEC-UHFFFAOYSA-N
XLogP3.90
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
3-[(3-bromophenyl)methoxy]-2-propoxycyclobutan-1-one
CID 107942380
3-(5-bromo-2-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943889
3-[(3-bromophenyl)methoxy]-2-methoxycyclobutan-1-ol
CID 104673746
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
1-bromo-3-(propoxymethyl)benzene
CID 57057286
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
2-[(3-methoxyphenyl)methoxy]-N-propylcyclohexan-1-amine
CID 62111265
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine (CID 107943815) is 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OCc2cccc(Br)c2)C1OCCC.
What is the InChIKey of 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine?
The InChIKey is RHDBVSKGQRZPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO2/c1-3-8-19-15-11-16(17(15)20-9-4-2)21-12-13-6-5-7-14(18)10-13/h5-7,10,15-17,19H,3-4,8-9,11-12H2,1-2H3.
What are the key properties of 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine?
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 107943815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).