[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine

C15H16BrNO — CID 107283560

IUPAC[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(Br)cc1OCc1cccc(CN)c1
InChIInChI=1S/C15H16BrNO/c1-11-5-6-14(16)8-15(11)18-10-13-4-2-3-12(7-13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyMEPZXKXMMYIPEV-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.80
Rot. Bonds4

About [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine

[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine (PubChem CID 107283560) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
PubChem CID107283560
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
SMILESCc1ccc(Br)cc1OCc1cccc(CN)c1
InChIInChI=1S/C15H16BrNO/c1-11-5-6-14(16)8-15(11)18-10-13-4-2-3-12(7-13)9-17/h2-8H,9-10,17H2,1H3
InChIKeyMEPZXKXMMYIPEV-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(5-bromo-2-methylphenoxy)methyl]-5-fluorophenyl]methanamine
CID 107283553
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
4-bromo-2-[(3-fluorophenyl)methoxy]-1-methylbenzene
CID 107284187
[3-[(2,5-dibromo-4-methoxyphenoxy)methyl]phenyl]methanamine
CID 79416158
[5-[(5-bromo-2-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 107286140
[3-[(3,4-dimethylphenoxy)methyl]phenyl]methanamine
CID 16784243
[3-[(2-chloro-4-methylphenoxy)methyl]phenyl]methanamine
CID 62669892
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
CID 63464346
1-[4-[(5-bromo-2-methylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 107285914
[4-[(4-bromo-2-methoxyphenoxy)methyl]phenyl]methanamine
CID 22688736
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
3-(5-bromo-2-methylphenoxy)propan-1-amine
CID 82648257

Frequently Asked Questions

What is the IUPAC name of [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
The IUPAC name of [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine (CID 107283560) is [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine.
What is the SMILES notation for [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
The canonical SMILES for [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine is Cc1ccc(Br)cc1OCc1cccc(CN)c1.
What is the InChIKey of [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
The InChIKey is MEPZXKXMMYIPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-5-6-14(16)8-15(11)18-10-13-4-2-3-12(7-13)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine?
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine has a molecular weight of 306.20 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine is sourced from PubChem (CID 107283560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).