1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine

C14H22BrNO — CID 114874622

IUPAC1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
SMILESCCOc1ccc(C(N)CC(C)CC)cc1Br
InChIInChI=1S/C14H22BrNO/c1-4-10(3)8-13(16)11-6-7-14(17-5-2)12(15)9-11/h6-7,9-10,13H,4-5,8,16H2,1-3H3
InChIKeyXHMJPIFYKQIBHB-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.28
Rot. Bonds6

About 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine

1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine (PubChem CID 114874622) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
PubChem CID114874622
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine
SMILESCCOc1ccc(C(N)CC(C)CC)cc1Br
InChIInChI=1S/C14H22BrNO/c1-4-10(3)8-13(16)11-6-7-14(17-5-2)12(15)9-11/h6-7,9-10,13H,4-5,8,16H2,1-3H3
InChIKeyXHMJPIFYKQIBHB-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-(3-bromo-4-ethoxyphenyl)heptan-1-amine
CID 114752689
1-(3-bromo-4-ethoxyphenyl)nonan-1-amine
CID 104657385
1-(3-bromo-4-ethoxyphenyl)decan-1-amine
CID 104657345
1-(3-bromo-4-propoxyphenyl)-3-methylbutan-1-amine
CID 113438084
1-(3-bromo-4-ethoxyphenyl)-2,3-dimethylbutan-1-amine
CID 113438055
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
1-(3-bromo-4-ethoxyphenyl)-2-(4-methylphenyl)ethanamine
CID 104657305
1-(2,5-dichloro-4-ethoxyphenyl)-3-methylpentan-1-amine
CID 114874589
ethyl 4-amino-4-(3-bromo-4-ethoxyphenyl)butanoate
CID 104658343
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine (CID 114874622) is 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine is CCOc1ccc(C(N)CC(C)CC)cc1Br.
What is the InChIKey of 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine?
The InChIKey is XHMJPIFYKQIBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-10(3)8-13(16)11-6-7-14(17-5-2)12(15)9-11/h6-7,9-10,13H,4-5,8,16H2,1-3H3.
What are the key properties of 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine?
1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-ethoxyphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 114874622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).