1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine

C18H23ClN2O — CID 169384780

IUPAC1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCCCOc1ccc(CNNc2ccccc2)cc1Cl
InChIInChI=1S/C18H23ClN2O/c1-2-3-7-12-22-18-11-10-15(13-17(18)19)14-20-21-16-8-5-4-6-9-16/h4-6,8-11,13,20-21H,2-3,7,12,14H2,1H3
InChIKeyALZCNABGVONMGC-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.03
Rot. Bonds9

About 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine

1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169384780) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169384780
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCCCCOc1ccc(CNNc2ccccc2)cc1Cl
InChIInChI=1S/C18H23ClN2O/c1-2-3-7-12-22-18-11-10-15(13-17(18)19)14-20-21-16-8-5-4-6-9-16/h4-6,8-11,13,20-21H,2-3,7,12,14H2,1H3
InChIKeyALZCNABGVONMGC-UHFFFAOYSA-N
XLogP5.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine 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

1-[(3-methyl-4-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384784
1-[(4-fluoro-3-hexoxyphenyl)methyl]-2-phenylhydrazine
CID 169384787
1-[(3,4-difluoro-5-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384801
N-[(3-chloro-4-pentoxyphenyl)methyl]propan-2-amine
CID 63498871
N-[(3-chloro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63485646
1-[(5-methyl-2-pentoxyphenyl)methyl]-2-phenylhydrazine
CID 169384807
N-[(3-chloro-4-heptoxyphenyl)methyl]propan-2-amine
CID 63500122
1-[[3-(methoxymethyl)-4-propoxyphenyl]methyl]-2-phenylhydrazine
CID 169386185
(3-chloro-4-nonoxyphenyl)methanol
CID 63533386
(3-chloro-4-nonoxyphenyl)methanamine
CID 63404558
1-[(5-chloro-2-propoxyphenyl)methyl]-2-phenylhydrazine
CID 169384738
1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-N-methylmethanamine
CID 62936941

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine (CID 169384780) is 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine is CCCCCOc1ccc(CNNc2ccccc2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is ALZCNABGVONMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O/c1-2-3-7-12-22-18-11-10-15(13-17(18)19)14-20-21-16-8-5-4-6-9-16/h4-6,8-11,13,20-21H,2-3,7,12,14H2,1H3.
What are the key properties of 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine?
1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 318.85 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pentoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169384780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).