N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

C15H25FN2 — CID 62985101

IUPACN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(2)11-17-9-10-18(4)13(3)14-7-5-6-8-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyNPKUVRLBHSUEIX-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.06
Rot. Bonds7

About N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine

N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62985101) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62985101
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(2)11-17-9-10-18(4)13(3)14-7-5-6-8-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3
InChIKeyNPKUVRLBHSUEIX-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 62985120
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62984584
2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62985637
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 62986091
1-[1-(2-fluorophenyl)ethyl-methylamino]-3-(2-methoxyethylamino)propan-2-ol
CID 115475277
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
CID 62977924
2-(2-fluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 66242392
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine (CID 62985101) is N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCN(C)C(C)c1ccccc1F.
What is the InChIKey of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is NPKUVRLBHSUEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(2)11-17-9-10-18(4)13(3)14-7-5-6-8-15(14)16/h5-8,12-13,17H,9-11H2,1-4H3.
What are the key properties of N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine?
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62985101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).