N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

C17H21BrN2O — CID 102880334

IUPACN-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cncc(COc2ccc(Br)cc2CNC(C)C)c1
InChIInChI=1S/C17H21BrN2O/c1-12(2)20-10-15-7-16(18)4-5-17(15)21-11-14-6-13(3)8-19-9-14/h4-9,12,20H,10-11H2,1-3H3
InChIKeySZNWAHKEKFLHRA-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.23
Rot. Bonds6

About N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine

N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 102880334) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID102880334
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1cncc(COc2ccc(Br)cc2CNC(C)C)c1
InChIInChI=1S/C17H21BrN2O/c1-12(2)20-10-15-7-16(18)4-5-17(15)21-11-14-6-13(3)8-19-9-14/h4-9,12,20H,10-11H2,1-3H3
InChIKeySZNWAHKEKFLHRA-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]-N-ethylethanamine
CID 102880408
(1S)-1-[4-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]ethanol
CID 102949293
N-[[5-bromo-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 62126870
3-[(5-bromo-2-chlorophenoxy)methyl]-5-methylpyridine
CID 102881286
N-[[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883305
(2S)-N-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 51993671
N-[(5-bromo-2-propoxyphenyl)methyl]propan-2-amine
CID 29224796
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
N-[(5-bromo-2-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 2992441
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 17055191
N-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-2-amine;hydrochloride
CID 17155854
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-2-amine
CID 54935872

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine (CID 102880334) is N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is Cc1cncc(COc2ccc(Br)cc2CNC(C)C)c1.
What is the InChIKey of N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is SZNWAHKEKFLHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-12(2)20-10-15-7-16(18)4-5-17(15)21-11-14-6-13(3)8-19-9-14/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine?
N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 349.27 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-[(5-methyl-3-pyridinyl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 102880334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).