N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

C17H21BrN2O — CID 104796281

IUPACN-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C17H21BrN2O/c1-13(2)9-19-10-14-3-7-17(8-4-14)21-12-16-6-5-15(18)11-20-16/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyOLZGEEOZDRNWOS-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.17
Rot. Bonds7

About N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 104796281) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID104796281
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccc(OCc2ccc(Br)cn2)cc1
InChIInChI=1S/C17H21BrN2O/c1-13(2)9-19-10-14-3-7-17(8-4-14)21-12-16-6-5-15(18)11-20-16/h3-8,11,13,19H,9-10,12H2,1-2H3
InChIKeyOLZGEEOZDRNWOS-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 104796088
N-[[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788995
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
methyl 4-[(5-bromo-2-pyridinyl)methoxy]benzoate
CID 104795982
1-[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]propan-2-one
CID 104797397
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
N-[[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 82006767
N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 62453015
N-[[2-bromo-5-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 104796427
3-(5-bromo-2-pyridinyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 104810436
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 104796281) is N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccc(OCc2ccc(Br)cn2)cc1.
What is the InChIKey of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OLZGEEOZDRNWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-13(2)9-19-10-14-3-7-17(8-4-14)21-12-16-6-5-15(18)11-20-16/h3-8,11,13,19H,9-10,12H2,1-2H3.
What are the key properties of N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 349.27 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 104796281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).