N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine

C19H25FN2 — CID 10017699

IUPACN'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine
SMILESFc1ccc(CCNCCNCCCc2ccccc2)cc1
InChIInChI=1S/C19H25FN2/c20-19-10-8-18(9-11-19)12-14-22-16-15-21-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,21-22H,4,7,12-16H2
InChIKeyVMEBOLYZCSKXCX-UHFFFAOYSA-N
MW300.42 g/mol
LogP3.18
Rot. Bonds10

About N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine

N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine (PubChem CID 10017699) has the molecular formula C19H25FN2 and a molecular weight of 300.42 g/mol. Its IUPAC name is N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine
PubChem CID10017699
Molecular FormulaC19H25FN2
Molecular Weight300.42 g/mol
Exact Mass300.20
IUPAC NameN'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine
SMILESFc1ccc(CCNCCNCCCc2ccccc2)cc1
InChIInChI=1S/C19H25FN2/c20-19-10-8-18(9-11-19)12-14-22-16-15-21-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,21-22H,4,7,12-16H2
InChIKeyVMEBOLYZCSKXCX-UHFFFAOYSA-N
XLogP3.18
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine (CID 10017699) is N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine is Fc1ccc(CCNCCNCCCc2ccccc2)cc1.
What is the InChIKey of N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine?
The InChIKey is VMEBOLYZCSKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2/c20-19-10-8-18(9-11-19)12-14-22-16-15-21-13-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,21-22H,4,7,12-16H2.
What are the key properties of N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine?
N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine has a molecular weight of 300.42 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-fluorophenyl)ethyl]-N-(3-phenylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 10017699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).