1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine

C17H20BrNO — CID 104659022

IUPAC1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(C)(N)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-3-12-20-16-11-7-5-9-14(16)17(2,19)13-8-4-6-10-15(13)18/h4-11H,3,12,19H2,1-2H3
InChIKeyBLOZNTWAGBEVHG-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.46
Rot. Bonds5

About 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine

1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine (PubChem CID 104659022) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
PubChem CID104659022
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine
SMILESCCCOc1ccccc1C(C)(N)c1ccccc1Br
InChIInChI=1S/C17H20BrNO/c1-3-12-20-16-11-7-5-9-14(16)17(2,19)13-8-4-6-10-15(13)18/h4-11H,3,12,19H2,1-2H3
InChIKeyBLOZNTWAGBEVHG-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-1-(2-ethoxyphenyl)ethanamine
CID 55120471
1-(4-methoxyphenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659024
1-(3-fluorophenyl)-1-(2-propoxyphenyl)ethanamine
CID 104659008
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
2-methyl-2-(2-propoxyphenyl)propanoic acid
CID 104662391
1-phenyl-2-(2-propoxyphenyl)butan-2-amine
CID 104659088
1-bromo-2,3-dipropoxybenzene
CID 91157628
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
1-(3-bromophenyl)-1-[2-(2-methoxyethoxy)phenyl]ethanamine
CID 104659021
1-(4-fluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 104658477
1-tert-butyl-2-heptoxybenzene
CID 64763672
1-(2-bromophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62787303

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine (CID 104659022) is 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine is CCCOc1ccccc1C(C)(N)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine?
The InChIKey is BLOZNTWAGBEVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-3-12-20-16-11-7-5-9-14(16)17(2,19)13-8-4-6-10-15(13)18/h4-11H,3,12,19H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine?
1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2-propoxyphenyl)ethanamine is sourced from PubChem (CID 104659022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).