2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

C14H21FN2 — CID 55089188

IUPAC2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-4-8-16-10-12(2)17(3)11-13-6-5-7-14(15)9-13/h4-7,9,12,16H,1,8,10-11H2,2-3H3
InChIKeyONSKWGCWPIKAPC-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.42
Rot. Bonds7

About 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 55089188) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID55089188
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)Cc1cccc(F)c1
InChIInChI=1S/C14H21FN2/c1-4-8-16-10-12(2)17(3)11-13-6-5-7-14(15)9-13/h4-7,9,12,16H,1,8,10-11H2,2-3H3
InChIKeyONSKWGCWPIKAPC-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569094
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568713
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propylpentane-1,2-diamine
CID 83043127
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-propan-2-ylpentane-1,2-diamine
CID 83042926
3-N-[(3-fluorophenyl)methyl]-3-N,2-dimethylbutane-1,3-diamine
CID 79414838
1-[(3-fluorophenyl)methyl]-1,2-dimethyl-3-prop-2-enylguanidine
CID 111285531
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569774
1-[2-(dimethylamino)ethyl]-1-[(3-fluorophenyl)methyl]-3-prop-2-enylurea
CID 86862869
1-N-tert-butyl-2-N-[(3-fluorophenyl)methyl]-2-N-methylpentane-1,2-diamine
CID 83042724
(2S)-2-[(3-fluorophenyl)methyl-methylamino]-N-phenylpropanamide
CID 8516170
1-(2,6-dichlorophenyl)-N-[(3-fluorophenyl)methyl]-N-methylethane-1,2-diamine
CID 43110178

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (CID 55089188) is 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(C)Cc1cccc(F)c1.
What is the InChIKey of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is ONSKWGCWPIKAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-8-16-10-12(2)17(3)11-13-6-5-7-14(15)9-13/h4-7,9,12,16H,1,8,10-11H2,2-3H3.
What are the key properties of 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine has a molecular weight of 236.33 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 55089188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).