2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine

C15H16BrNO — CID 117242682

IUPAC2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)COc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNO/c1-11-4-2-5-12(8-11)15(17)10-18-14-7-3-6-13(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyDHZHAZKFPPPVCM-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.84
Rot. Bonds4

About 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine

2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine (PubChem CID 117242682) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine
PubChem CID117242682
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)COc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNO/c1-11-4-2-5-12(8-11)15(17)10-18-14-7-3-6-13(16)9-14/h2-9,15H,10,17H2,1H3
InChIKeyDHZHAZKFPPPVCM-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

3-[1-amino-2-(3-bromophenoxy)ethyl]phenol
CID 117242719
2-(3-methylphenoxy)-1-naphthalen-2-ylethanamine
CID 43093388
1-(3-bromophenoxy)-4-methoxybutan-2-amine
CID 117236752
1-bromo-3-[(2R)-2-methoxypropoxy]benzene
CID 130454030
2-(2,2-difluoroethoxy)-1-(3-methylphenyl)ethanamine
CID 82003944
1-bromo-3-[(2S)-3-chloro-2-methylpropoxy]benzene
CID 86611004
1-(2,6-difluorophenyl)-2-(3-methylphenoxy)ethanamine
CID 16794540
2-(3-ethoxyphenoxy)-1-phenylethanamine
CID 62335579
(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
3-[2-amino-2-(4-methylphenyl)ethoxy]phenol
CID 117244597
2-(3-ethoxyphenoxy)-1-(3-methoxyphenyl)ethanamine
CID 62336890
2-(3-bromophenoxy)-1-cyclobutylethanamine
CID 117245578

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine?
The IUPAC name of 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine (CID 117242682) is 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine?
The canonical SMILES for 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine is Cc1cccc(C(N)COc2cccc(Br)c2)c1.
What is the InChIKey of 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine?
The InChIKey is DHZHAZKFPPPVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-4-2-5-12(8-11)15(17)10-18-14-7-3-6-13(16)9-14/h2-9,15H,10,17H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine?
2-(3-bromophenoxy)-1-(3-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-(3-bromophenoxy)-1-(3-methylphenyl)ethanamine is sourced from PubChem (CID 117242682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).