[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine

C14H21ClN2O — CID 105314404

IUPAC[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESCc1ccc(Cl)cc1C(CCC1CCCO1)NN
InChIInChI=1S/C14H21ClN2O/c1-10-4-5-11(15)9-13(10)14(17-16)7-6-12-3-2-8-18-12/h4-5,9,12,14,17H,2-3,6-8,16H2,1H3
InChIKeyAPYNTHGZFSBGOW-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.11
Rot. Bonds5

About [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine

[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine (PubChem CID 105314404) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
PubChem CID105314404
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
SMILESCc1ccc(Cl)cc1C(CCC1CCCO1)NN
InChIInChI=1S/C14H21ClN2O/c1-10-4-5-11(15)9-13(10)14(17-16)7-6-12-3-2-8-18-12/h4-5,9,12,14,17H,2-3,6-8,16H2,1H3
InChIKeyAPYNTHGZFSBGOW-UHFFFAOYSA-N
XLogP3.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2,5-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105302010
[1-(2,4-dichlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314231
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
[1-(2-fluoro-4-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314262
[1-(2,5-difluorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105219360
[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010
1-(4-chloro-2-fluorophenyl)-N-methyl-3-(oxolan-2-yl)propan-1-amine
CID 65164610
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
[1-(3-bromo-2-chlorophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314342
[1-(4-fluoro-3-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314273
[1-(2-fluoro-4-methoxyphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105256870
1-(5-chloro-2-methoxyphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 104546060

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The IUPAC name of [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine (CID 105314404) is [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine.
What is the SMILES notation for [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The canonical SMILES for [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine is Cc1ccc(Cl)cc1C(CCC1CCCO1)NN.
What is the InChIKey of [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
The InChIKey is APYNTHGZFSBGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-10-4-5-11(15)9-13(10)14(17-16)7-6-12-3-2-8-18-12/h4-5,9,12,14,17H,2-3,6-8,16H2,1H3.
What are the key properties of [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine?
[1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine has a molecular weight of 268.79 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propyl]hydrazine is sourced from PubChem (CID 105314404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).