N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine

C17H21BrN2O — CID 61390601

IUPACN-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Br)c1OCCc1ccncc1
InChIInChI=1S/C17H21BrN2O/c1-2-9-20-13-15-4-3-5-16(18)17(15)21-12-8-14-6-10-19-11-7-14/h3-7,10-11,20H,2,8-9,12-13H2,1H3
InChIKeyCZGIYQAOSXAFRQ-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.97
Rot. Bonds8

About N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine

N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 61390601) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine
PubChem CID61390601
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC NameN-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(Br)c1OCCc1ccncc1
InChIInChI=1S/C17H21BrN2O/c1-2-9-20-13-15-4-3-5-16(18)17(15)21-12-8-14-6-10-19-11-7-14/h3-7,10-11,20H,2,8-9,12-13H2,1H3
InChIKeyCZGIYQAOSXAFRQ-UHFFFAOYSA-N
XLogP3.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-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-[[3-bromo-2-[2-(dimethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390702
N-[[3-bromo-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106450010
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 62699146
N-[[3-bromo-2-[2-(diethylamino)ethoxy]phenyl]methyl]propan-1-amine
CID 61390561
N-[[3-bromo-2-(pyridin-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 61390714
methyl 4-[2-bromo-6-(propylaminomethyl)phenoxy]butanoate
CID 61390551
N-[(3-bromo-2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 61390672
3-[2-bromo-6-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 62325837
N-[[3-bromo-2-(2-methylbutoxy)phenyl]methyl]propan-1-amine
CID 55193645
N-[[3-bromo-2-[(3-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 63499383
N-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
N-[(3-bromo-2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 61390654

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine (CID 61390601) is N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine is CCCNCc1cccc(Br)c1OCCc1ccncc1.
What is the InChIKey of N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is CZGIYQAOSXAFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-2-9-20-13-15-4-3-5-16(18)17(15)21-12-8-14-6-10-19-11-7-14/h3-7,10-11,20H,2,8-9,12-13H2,1H3.
What are the key properties of N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine?
N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 349.27 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-(2-pyridin-4-ylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 61390601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).