3-[(3-bromophenyl)methoxymethyl]-2-methylaniline

C15H16BrNO — CID 82827507

IUPAC3-[(3-bromophenyl)methoxymethyl]-2-methylaniline
SMILESCc1c(N)cccc1COCc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO/c1-11-13(5-3-7-15(11)17)10-18-9-12-4-2-6-14(16)8-12/h2-8H,9-10,17H2,1H3
InChIKeyMWOFVPRXFKXVNJ-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.06
Rot. Bonds4

About 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline

3-[(3-bromophenyl)methoxymethyl]-2-methylaniline (PubChem CID 82827507) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline.

Molecular Properties

Compound Name3-[(3-bromophenyl)methoxymethyl]-2-methylaniline
PubChem CID82827507
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name3-[(3-bromophenyl)methoxymethyl]-2-methylaniline
SMILESCc1c(N)cccc1COCc1cccc(Br)c1
InChIInChI=1S/C15H16BrNO/c1-11-13(5-3-7-15(11)17)10-18-9-12-4-2-6-14(16)8-12/h2-8H,9-10,17H2,1H3
InChIKeyMWOFVPRXFKXVNJ-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline?
The IUPAC name of 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline (CID 82827507) is 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline.
What is the SMILES notation for 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline?
The canonical SMILES for 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline is Cc1c(N)cccc1COCc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline?
The InChIKey is MWOFVPRXFKXVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-11-13(5-3-7-15(11)17)10-18-9-12-4-2-6-14(16)8-12/h2-8H,9-10,17H2,1H3.
What are the key properties of 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline?
3-[(3-bromophenyl)methoxymethyl]-2-methylaniline has a molecular weight of 306.20 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methoxymethyl]-2-methylaniline is sourced from PubChem (CID 82827507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).