2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine

C15H16BrNO — CID 117243728

IUPAC2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)COc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-11-4-2-3-5-14(11)15(17)10-18-13-8-6-12(16)7-9-13/h2-9,15H,10,17H2,1H3
InChIKeyJJKYMUQUZPJNLB-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.84
Rot. Bonds4

About 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine

2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine (PubChem CID 117243728) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
PubChem CID117243728
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(N)COc1ccc(Br)cc1
InChIInChI=1S/C15H16BrNO/c1-11-4-2-3-5-14(11)15(17)10-18-13-8-6-12(16)7-9-13/h2-9,15H,10,17H2,1H3
InChIKeyJJKYMUQUZPJNLB-UHFFFAOYSA-N
XLogP3.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-amino-2-(2-methylphenyl)ethoxy]phenol
CID 117243730
1-(2-methylphenyl)-2-(4-propan-2-ylphenoxy)ethanamine
CID 43108631
2-(4-butan-2-ylphenoxy)-1-(2-methylphenyl)ethanamine
CID 107664275
1-(2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)ethanamine
CID 43097526
2-(4-bromophenoxy)-1-phenylethanamine
CID 63771219
2-(4-bromophenoxy)-1-(1-methylpyrrol-2-yl)ethanamine
CID 16641590
(1S)-2-(4-methylphenoxy)-1-naphthalen-1-ylethanamine
CID 28541442
2-(2-ethylphenoxy)-1-(2-methylphenyl)ethanamine
CID 43364243
N-[2-(4-bromophenoxy)ethyl]-1-(2-methylphenyl)ethanamine
CID 63490336
2-(4-bromophenoxy)-1-(4-fluorophenyl)ethanamine
CID 82027726
2-(3-methylbutoxy)-1-(2-methylphenyl)ethanamine
CID 43184265
2-(2-fluoro-5-methylphenoxy)-1-(2-methylphenyl)ethanamine
CID 64853630

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine?
The IUPAC name of 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine (CID 117243728) is 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(N)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine?
The InChIKey is JJKYMUQUZPJNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-4-2-3-5-14(11)15(17)10-18-13-8-6-12(16)7-9-13/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine?
2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine has a molecular weight of 306.20 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 117243728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).