[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine

C15H16BrNO — CID 82827520

IUPAC[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
SMILESNCc1cccc(COCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNO/c16-15-6-2-5-14(8-15)11-18-10-13-4-1-3-12(7-13)9-17/h1-8H,9-11,17H2
InChIKeyGXOMKDTYQQBDPJ-UHFFFAOYSA-N
MW306.20 g/mol
LogP3.62
Rot. Bonds5

About [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine

[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine (PubChem CID 82827520) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
PubChem CID82827520
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
SMILESNCc1cccc(COCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrNO/c16-15-6-2-5-14(8-15)11-18-10-13-4-1-3-12(7-13)9-17/h1-8H,9-11,17H2
InChIKeyGXOMKDTYQQBDPJ-UHFFFAOYSA-N
XLogP3.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)methanamine;hydroiodide
CID 175169219
[4-[(3-bromophenyl)methoxymethyl]-3-chlorophenyl]methanamine
CID 102663616
magnesium;(3-bromophenyl)methanamine;dibromide
CID 174355920
1-bromo-3-[(4-chlorophenyl)methoxymethyl]benzene
CID 65125960
[4-[(3-bromophenyl)methoxymethyl]-1,3-thiazol-2-yl]methanamine
CID 82831486
3-[(3-bromophenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 82825243
1-bromo-3-(propoxymethyl)benzene
CID 57057286
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
2-[(3-bromophenyl)methoxy]ethanethioamide
CID 82827061
3-[(3-bromophenyl)methoxymethyl]-2-fluoroaniline
CID 107348000
[3-[(5-bromo-2-methylphenoxy)methyl]phenyl]methanamine
CID 107283560
N-[[3-[(3-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808184

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine?
The IUPAC name of [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine (CID 82827520) is [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine.
What is the SMILES notation for [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine?
The canonical SMILES for [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine is NCc1cccc(COCc2cccc(Br)c2)c1.
What is the InChIKey of [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine?
The InChIKey is GXOMKDTYQQBDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c16-15-6-2-5-14(8-15)11-18-10-13-4-1-3-12(7-13)9-17/h1-8H,9-11,17H2.
What are the key properties of [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine?
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine has a molecular weight of 306.20 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine is sourced from PubChem (CID 82827520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).