2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine

C16H23FN2 — CID 43830446

IUPAC2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
SMILESC=CCN(CC=C)CC(N)(CC)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2/c1-4-11-19(12-5-2)13-16(18,6-3)14-7-9-15(17)10-8-14/h4-5,7-10H,1-2,6,11-13,18H2,3H3
InChIKeyUYSPURTTYZWVIN-UHFFFAOYSA-N
MW262.37 g/mol
LogP3.06
Rot. Bonds8

About 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine

2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine (PubChem CID 43830446) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
PubChem CID43830446
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC Name2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine
SMILESC=CCN(CC=C)CC(N)(CC)c1ccc(F)cc1
InChIInChI=1S/C16H23FN2/c1-4-11-19(12-5-2)13-16(18,6-3)14-7-9-15(17)10-8-14/h4-5,7-10H,1-2,6,11-13,18H2,3H3
InChIKeyUYSPURTTYZWVIN-UHFFFAOYSA-N
XLogP3.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
The IUPAC name of 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine (CID 43830446) is 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
The canonical SMILES for 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine is C=CCN(CC=C)CC(N)(CC)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
The InChIKey is UYSPURTTYZWVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c1-4-11-19(12-5-2)13-16(18,6-3)14-7-9-15(17)10-8-14/h4-5,7-10H,1-2,6,11-13,18H2,3H3.
What are the key properties of 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine?
2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine has a molecular weight of 262.37 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-N,1-N-bis(prop-2-enyl)butane-1,2-diamine is sourced from PubChem (CID 43830446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).