3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine

C20H27BrN2O2 — CID 145119808

IUPAC3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine
SMILESCCOc1ccc(C(C)(C)c2ccc(OCCCNN)cc2)cc1Br
InChIInChI=1S/C20H27BrN2O2/c1-4-24-19-11-8-16(14-18(19)21)20(2,3)15-6-9-17(10-7-15)25-13-5-12-23-22/h6-11,14,23H,4-5,12-13,22H2,1-3H3
InChIKeyLRTLJGNUROQYMO-UHFFFAOYSA-N
MW407.35 g/mol
LogP4.41
Rot. Bonds9

About 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine

3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine (PubChem CID 145119808) has the molecular formula C20H27BrN2O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine.

Molecular Properties

Compound Name3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine
PubChem CID145119808
Molecular FormulaC20H27BrN2O2
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine
SMILESCCOc1ccc(C(C)(C)c2ccc(OCCCNN)cc2)cc1Br
InChIInChI=1S/C20H27BrN2O2/c1-4-24-19-11-8-16(14-18(19)21)20(2,3)15-6-9-17(10-7-15)25-13-5-12-23-22/h6-11,14,23H,4-5,12-13,22H2,1-3H3
InChIKeyLRTLJGNUROQYMO-UHFFFAOYSA-N
XLogP4.41
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine 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

2-(4-ethoxyphenoxy)ethylhydrazine
CID 94680175
1-[3-[4-[2-[3-bromo-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]propyl]imidazole
CID 145119577
N-ethyl-2-[4-(2-phenylpropan-2-yl)phenoxy]ethanamine
CID 39291581
2-[2-bromo-4-(trifluoromethyl)phenoxy]-N-methylethanamine
CID 115512098
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(3-methoxypropyl)urea
CID 108881958
3-(2-bromophenoxy)propylhydrazine
CID 94688539
3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enylpropan-1-amine
CID 2581421
1-[amino-[(Z)-2-amino-3-hydroxyprop-1-enyl]amino]-3-[4-[2-[3-bromo-4-(3-chloropropoxy)phenyl]propan-2-yl]phenoxy]propan-2-ol
CID 166879005
3-bromo-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 22685806
1-(3-bromo-4-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 104657289
1-[3-(2-bromo-4-tert-butylphenoxy)propyl]-3-(2-ethylphenyl)urea
CID 108882145
(2R)-2-[2-[2-bromo-4-(2-phenylpropan-2-yl)phenoxy]ethyl]piperidine
CID 86320218

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine?
The IUPAC name of 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine (CID 145119808) is 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine.
What is the SMILES notation for 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine?
The canonical SMILES for 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine is CCOc1ccc(C(C)(C)c2ccc(OCCCNN)cc2)cc1Br.
What is the InChIKey of 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine?
The InChIKey is LRTLJGNUROQYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN2O2/c1-4-24-19-11-8-16(14-18(19)21)20(2,3)15-6-9-17(10-7-15)25-13-5-12-23-22/h6-11,14,23H,4-5,12-13,22H2,1-3H3.
What are the key properties of 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine?
3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine has a molecular weight of 407.35 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-bromo-4-ethoxyphenyl)propan-2-yl]phenoxy]propylhydrazine is sourced from PubChem (CID 145119808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).