2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

C14H21FN2 — CID 62569094

IUPAC2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-4-9-16-10-12(2)17(3)11-13-5-7-14(15)8-6-13/h4-8,12,16H,1,9-11H2,2-3H3
InChIKeyPFOITQXRTOKNSW-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.42
Rot. Bonds7

About 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine

2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (PubChem CID 62569094) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
PubChem CID62569094
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
SMILESC=CCNCC(C)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C14H21FN2/c1-4-9-16-10-12(2)17(3)11-13-5-7-14(15)8-6-13/h4-8,12,16H,1,9-11H2,2-3H3
InChIKeyPFOITQXRTOKNSW-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-[(3-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 55089188
2-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569093
2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 62569276
1-N-butan-2-yl-2-N-[(4-fluorophenyl)methyl]-2-N-methylpropane-1,2-diamine
CID 62569275
2-N-[(5-bromothiophen-3-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568713
2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]-1-N-prop-2-enylpropane-1,2-diamine
CID 62570008
2-N-[(2-chlorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568215
2-[(4-fluorophenyl)methyl-methylamino]propan-1-ol
CID 112701198
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569774
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
2-N-[(4-bromophenyl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62413127
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The IUPAC name of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine (CID 62569094) is 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is C=CCNCC(C)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
The InChIKey is PFOITQXRTOKNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-4-9-16-10-12(2)17(3)11-13-5-7-14(15)8-6-13/h4-8,12,16H,1,9-11H2,2-3H3.
What are the key properties of 2-N-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine?
2-N-[(4-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-[(4-fluorophenyl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine is sourced from PubChem (CID 62569094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).