N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine

C17H21BrN2O — CID 63264808

IUPACN-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCc2cccnc2)c(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-13(2)20-12-15-5-6-17(16(18)10-15)21-9-7-14-4-3-8-19-11-14/h3-6,8,10-11,13,20H,7,9,12H2,1-2H3
InChIKeyGYWOBQRHVXBVBB-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.96
Rot. Bonds7

About N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine

N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine (PubChem CID 63264808) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine
PubChem CID63264808
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccc(OCCc2cccnc2)c(Br)c1
InChIInChI=1S/C17H21BrN2O/c1-13(2)20-12-15-5-6-17(16(18)10-15)21-9-7-14-4-3-8-19-11-14/h3-6,8,10-11,13,20H,7,9,12H2,1-2H3
InChIKeyGYWOBQRHVXBVBB-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-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-[[3-bromo-4-[2-(1-methylpyrazol-4-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 102999740
3-[3-(2-bromo-4-propan-2-ylphenoxy)propyl]pyridine
CID 642852
1-(3-bromo-4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 17157332
N-[[3,5-dibromo-4-(pyridin-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 107742755
N-[(3-bromo-4-octoxyphenyl)methyl]propan-2-amine
CID 63501051
N-[[3-bromo-4-(2-propoxyethoxy)phenyl]methyl]propan-2-amine
CID 106450102
N-[[3-bromo-4-(3-methylsulfanylpropoxy)phenyl]methyl]propan-2-amine
CID 113473368
N-[[3-bromo-4-(2-methylsulfonylethoxy)phenyl]methyl]propan-2-amine
CID 63045692
(1R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 78978073
N-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63045368
N-[(3-bromo-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60657611
N-[[3-bromo-4-[(2-methyltetrazol-5-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107041356

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine (CID 63264808) is N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1ccc(OCCc2cccnc2)c(Br)c1.
What is the InChIKey of N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is GYWOBQRHVXBVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-13(2)20-12-15-5-6-17(16(18)10-15)21-9-7-14-4-3-8-19-11-14/h3-6,8,10-11,13,20H,7,9,12H2,1-2H3.
What are the key properties of N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine?
N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 349.27 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-(2-pyridin-3-ylethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63264808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).