N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

C17H21BrN2O — CID 62289903

IUPACN-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Br)cnc1OCc1ccccc1
InChIInChI=1S/C17H21BrN2O/c1-17(2,3)20-10-14-9-15(18)11-19-16(14)21-12-13-7-5-4-6-8-13/h4-9,11,20H,10,12H2,1-3H3
InChIKeyBPKCRYYKLHZCIB-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.31
Rot. Bonds5

About N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine

N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (PubChem CID 62289903) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
PubChem CID62289903
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cc(Br)cnc1OCc1ccccc1
InChIInChI=1S/C17H21BrN2O/c1-17(2,3)20-10-14-9-15(18)11-19-16(14)21-12-13-7-5-4-6-8-13/h4-9,11,20H,10,12H2,1-3H3
InChIKeyBPKCRYYKLHZCIB-UHFFFAOYSA-N
XLogP4.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62291381
N-[[5-bromo-2-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125248
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125681
N-[[5-bromo-2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 82831389
1-(5-bromo-2-phenylmethoxy-3-pyridinyl)-N-methylethenamine
CID 126675205
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
N-[[5-bromo-2-[(3-chlorophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 65125438
N-[[5-bromo-2-(pyridin-4-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63057171
[5-bromo-2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]methanamine
CID 62291690
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine (CID 62289903) is N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cc(Br)cnc1OCc1ccccc1.
What is the InChIKey of N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
The InChIKey is BPKCRYYKLHZCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-17(2,3)20-10-14-9-15(18)11-19-16(14)21-12-13-7-5-4-6-8-13/h4-9,11,20H,10,12H2,1-3H3.
What are the key properties of N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine?
N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine has a molecular weight of 349.27 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-phenylmethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62289903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).