1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

C12H17FN2 — CID 114616318

IUPAC1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-9(2)8-15-12(7-14)10-4-3-5-11(13)6-10/h3-6,12,15H,1,7-8,14H2,2H3
InChIKeyZPIDGDAEROIEKM-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.99
Rot. Bonds5

About 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine

1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 114616318) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID114616318
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNC(CN)c1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-9(2)8-15-12(7-14)10-4-3-5-11(13)6-10/h3-6,12,15H,1,7-8,14H2,2H3
InChIKeyZPIDGDAEROIEKM-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-5-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616017
1-(3-chloro-4-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616189
1-(3,5-dimethylphenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616122
1-(2-chloro-6-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616201
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]prop-2-en-1-amine
CID 81365572
N-(2-methylprop-2-enyl)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 114616293
(1R)-1-(3-fluorophenyl)-N,N-dimethylethane-1,2-diamine
CID 7127584
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
CID 115588694
N-[1-(3-fluorophenyl)propyl]-3-methylbut-2-en-1-amine
CID 103522681
(1R)-1-(3-fluorophenyl)-N-methylpropan-1-amine
CID 93312415
(2S)-3-amino-2-(3-fluorophenyl)propan-1-ol
CID 124510156
1-(5-ethylfuran-2-yl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 114616165

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 114616318) is 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNC(CN)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is ZPIDGDAEROIEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-9(2)8-15-12(7-14)10-4-3-5-11(13)6-10/h3-6,12,15H,1,7-8,14H2,2H3.
What are the key properties of 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 208.28 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 114616318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).