1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine

C15H16BrNO — CID 43282478

IUPAC1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1ccc(C)cc1
InChIInChI=1S/C15H16BrNO/c1-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
InChIKeyMRAVFDPXTDKUSM-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.27
Rot. Bonds4

About 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine

1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine (PubChem CID 43282478) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine
PubChem CID43282478
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(Br)cc1Oc1ccc(C)cc1
InChIInChI=1S/C15H16BrNO/c1-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
InChIKeyMRAVFDPXTDKUSM-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-phenoxyphenyl)-N-methylmethanamine
CID 24208815
[2-(4-Bromo-2,5-dimethoxy-phenyl)-ethyl]-(4-methoxy-benzyl)-amine
CID 10385090
{[4-Bromo-2-(3,4-dichlorophenoxy)phenyl]methyl}(methyl)amine
CID 9925089
(2-(4-bromophenoxy)phenyl)-N,N-dimethylmethanamine
CID 23378645
N,N-dimethyl-1-(2-(p-tolyloxy)phenyl)methanamine
CID 44563029
N-[2-(benzyloxy)-5-bromobenzyl]-N-(3-ethoxypropyl)amine
CID 1814803
N-(5-bromo-2-methoxybenzyl)-1-phenylethanamine
CID 4455795
N-[2-(allyloxy)-5-bromobenzyl]-2-methyl-2-propanamine hydrochloride
CID 6461894
N-methyl-1-(2-(p-tolyloxy)phenyl)ethanamine
CID 43285101
(5-bromo-2-(4-(trifluoromethyl)phenoxy)phenyl)-N,N-dimethylmethanamine
CID 44568174
N-(5-bromo-2-ethoxybenzyl)-3-ethoxy-1-propanamine hydrochloride
CID 2968489
N-[2-(benzyloxy)-5-bromobenzyl]-2-propanamine hydrochloride
CID 2984050

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine (CID 43282478) is 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine is CNCc1ccc(Br)cc1Oc1ccc(C)cc1.
What is the InChIKey of 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine?
The InChIKey is MRAVFDPXTDKUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine?
1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine has a molecular weight of 306.20 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(4-methylphenoxy)phenyl]-N-methylmethanamine is sourced from PubChem (CID 43282478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).