4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine

C15H25FN2 — CID 62984047

IUPAC4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(8-7-11-17-3)18(4)13(2)14-9-5-6-10-15(14)16/h5-6,9-10,12-13,17H,7-8,11H2,1-4H3
InChIKeyRZGGWNBKZBBLHB-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.21
Rot. Bonds7

About 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine

4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine (PubChem CID 62984047) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
PubChem CID62984047
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Name4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
SMILESCNCCCC(C)N(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(8-7-11-17-3)18(4)13(2)14-9-5-6-10-15(14)16/h5-6,9-10,12-13,17H,7-8,11H2,1-4H3
InChIKeyRZGGWNBKZBBLHB-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

2-N-[1-(2-fluorophenyl)ethyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62985637
4-N-[1-(3-chlorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 55142410
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
4-N-ethyl-1-N-[1-(2-fluorophenyl)ethyl]-1-N-methylhexane-1,4-diamine
CID 106799773
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 62978094
1-N,4-N-dimethyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 62432184
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-5-N-propylhexane-1,5-diamine
CID 62977924
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
1-N-[1-(2-fluorophenyl)ethyl]-1-N-methyl-2-N-propylpentane-1,2-diamine
CID 62980033
N'-butan-2-yl-1-(2-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644105
1-(2-fluorophenyl)-N-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]ethanamine
CID 62985620
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The IUPAC name of 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine (CID 62984047) is 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine is CNCCCC(C)N(C)C(C)c1ccccc1F.
What is the InChIKey of 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
The InChIKey is RZGGWNBKZBBLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(8-7-11-17-3)18(4)13(2)14-9-5-6-10-15(14)16/h5-6,9-10,12-13,17H,7-8,11H2,1-4H3.
What are the key properties of 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine?
4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine is sourced from PubChem (CID 62984047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).