[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine

C15H16BrNO — CID 114479347

IUPAC[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COc1ccccc1Br
InChIInChI=1S/C15H16BrNO/c1-11-8-12(9-17)6-7-13(11)10-18-15-5-3-2-4-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyHBRPSTXQTZMCPJ-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.80
Rot. Bonds4

About [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine

[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine (PubChem CID 114479347) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
PubChem CID114479347
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine
SMILESCc1cc(CN)ccc1COc1ccccc1Br
InChIInChI=1S/C15H16BrNO/c1-11-8-12(9-17)6-7-13(11)10-18-15-5-3-2-4-14(15)16/h2-8H,9-10,17H2,1H3
InChIKeyHBRPSTXQTZMCPJ-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

[4-[(2,6-dimethylphenoxy)methyl]-3-methylphenyl]methanamine
CID 114479266
[3-bromo-4-[(2-propan-2-ylphenoxy)methyl]phenyl]methanamine
CID 102773232
4-[(2-bromophenoxy)methyl]-3-methylbenzenecarboximidamide
CID 114483695
[3-bromo-4-[(4-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 102773542
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
[3-bromo-4-[[2-[(E)-prop-1-enyl]phenoxy]methyl]phenyl]methanamine
CID 102772276
[3-chloro-4-[(2-methoxyphenoxy)methyl]phenyl]methanamine
CID 102663469
[4-[(2-bromophenyl)methoxy]-3-fluorophenyl]methanamine
CID 82828276
[4-[(2-bromo-5-fluorophenoxy)methyl]-3-chlorophenyl]methanamine
CID 102663607
[3-bromo-4-[(2-butan-2-ylphenoxy)methyl]phenyl]methanamine
CID 102773238
2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
2-[(4-bromo-2-methylphenyl)methoxy]phenol
CID 117219489

Frequently Asked Questions

What is the IUPAC name of [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine?
The IUPAC name of [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine (CID 114479347) is [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine.
What is the SMILES notation for [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine?
The canonical SMILES for [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine is Cc1cc(CN)ccc1COc1ccccc1Br.
What is the InChIKey of [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine?
The InChIKey is HBRPSTXQTZMCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-8-12(9-17)6-7-13(11)10-18-15-5-3-2-4-14(15)16/h2-8H,9-10,17H2,1H3.
What are the key properties of [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine?
[4-[(2-bromophenoxy)methyl]-3-methylphenyl]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 [4-[(2-bromophenoxy)methyl]-3-methylphenyl]methanamine is sourced from PubChem (CID 114479347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).