N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine

C18H22BrNO — CID 107285197

IUPACN-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Br)cc1Oc1ccccc1CNCC(C)C
InChIInChI=1S/C18H22BrNO/c1-13(2)11-20-12-15-6-4-5-7-17(15)21-18-10-16(19)9-8-14(18)3/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWNGAVMRJHUXASZ-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.30
Rot. Bonds6

About N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107285197) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID107285197
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCc1ccc(Br)cc1Oc1ccccc1CNCC(C)C
InChIInChI=1S/C18H22BrNO/c1-13(2)11-20-12-15-6-4-5-7-17(15)21-18-10-16(19)9-8-14(18)3/h4-10,13,20H,11-12H2,1-3H3
InChIKeyWNGAVMRJHUXASZ-UHFFFAOYSA-N
XLogP5.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 107285188
N-[[3-(5-bromo-2-methylphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 107285678
N-[[2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553106
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552912
N-[[2-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990039
2-methyl-N-[[6-methyl-4-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81253703
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
N-[[2-(5-bromo-2-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 114674371
N-[[5-fluoro-2-(2-fluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63551058
N-[[4-(4-bromophenoxy)-2-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552547
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-1-amine
CID 43283630

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 107285197) is N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine is Cc1ccc(Br)cc1Oc1ccccc1CNCC(C)C.
What is the InChIKey of N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is WNGAVMRJHUXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-13(2)11-20-12-15-6-4-5-7-17(15)21-18-10-16(19)9-8-14(18)3/h4-10,13,20H,11-12H2,1-3H3.
What are the key properties of N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 348.28 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107285197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).