1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine

C13H20BrNO2 — CID 54970505

IUPAC1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
SMILESCNC(CCOC)CCOc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-15-12(6-8-16-2)7-9-17-13-5-3-4-11(14)10-13/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyOOWQZCXGYXXZFC-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.84
Rot. Bonds8

About 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine

1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine (PubChem CID 54970505) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine.

Molecular Properties

Compound Name1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
PubChem CID54970505
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC Name1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine
SMILESCNC(CCOC)CCOc1cccc(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-15-12(6-8-16-2)7-9-17-13-5-3-4-11(14)10-13/h3-5,10,12,15H,6-9H2,1-2H3
InChIKeyOOWQZCXGYXXZFC-UHFFFAOYSA-N
XLogP2.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenoxy)-N,5-dimethylhexan-3-amine
CID 54971176
1-methoxy-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105165685
1-(3-bromophenoxy)-N-ethylhexan-3-amine
CID 54970645
1-(3-bromophenoxy)-4-methoxybutan-2-amine
CID 117236752
1-bromo-3-(4-methylpentoxy)benzene
CID 83156174
1-bromo-3-[2-(2-methoxyethoxy)ethoxy]benzene;ethane
CID 144931224
5-(3-bromophenoxy)-N-ethyl-1-methoxypentan-2-amine
CID 62319836
1-bromo-3-[3-(2-methoxyethoxy)propoxy]benzene
CID 103409891
1-bromo-3-[2-(2-methoxyethylsulfanyl)ethoxy]benzene
CID 60732563
1-bromo-3-[2-[3-(2-methoxyethoxy)propoxy]ethoxy]benzene
CID 103404159
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
CID 54971361
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine?
The IUPAC name of 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine (CID 54970505) is 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine.
What is the SMILES notation for 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine?
The canonical SMILES for 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine is CNC(CCOC)CCOc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine?
The InChIKey is OOWQZCXGYXXZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-15-12(6-8-16-2)7-9-17-13-5-3-4-11(14)10-13/h3-5,10,12,15H,6-9H2,1-2H3.
What are the key properties of 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine?
1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine has a molecular weight of 302.21 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenoxy)-5-methoxy-N-methylpentan-3-amine is sourced from PubChem (CID 54970505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).