N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine

C15H25FN2 — CID 113440610

IUPACN-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
SMILESCC(CCCN)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(7-6-10-17)11-18(3)13(2)14-8-4-5-9-15(14)16/h4-5,8-9,12-13H,6-7,10-11,17H2,1-3H3
InChIKeyXHTYWQCNRGOMBP-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.19
Rot. Bonds7

About N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine

N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine (PubChem CID 113440610) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
PubChem CID113440610
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine
SMILESCC(CCCN)CN(C)C(C)c1ccccc1F
InChIInChI=1S/C15H25FN2/c1-12(7-6-10-17)11-18(3)13(2)14-8-4-5-9-15(14)16/h4-5,8-9,12-13H,6-7,10-11,17H2,1-3H3
InChIKeyXHTYWQCNRGOMBP-UHFFFAOYSA-N
XLogP3.19
TPSA29.26 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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
1-N-[1-(2-fluorophenyl)ethyl]-3-methoxy-1-N-methylpropane-1,2-diamine
CID 81101528
N'-[1-(2-fluorophenyl)ethyl]-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 62979148
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
N-cyclopropyl-N'-[1-(2-fluorophenyl)ethyl]-N',2-dimethylpropane-1,3-diamine
CID 62985981
2-(bromomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylpentan-1-amine
CID 65013097
N-ethyl-N-(2-fluorophenyl)-2-methylpentane-1,5-diamine
CID 113440602
2-[1-(2-fluorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanol
CID 62983990
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
1-N-[1-(2-fluorophenyl)ethyl]-1-N,4-N-dimethylpentane-1,4-diamine
CID 62977925
3-(ethylamino)-4-[1-(2-fluorophenyl)ethyl-methylamino]butan-1-ol
CID 64898179

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine (CID 113440610) is N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine is CC(CCCN)CN(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine?
The InChIKey is XHTYWQCNRGOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(7-6-10-17)11-18(3)13(2)14-8-4-5-9-15(14)16/h4-5,8-9,12-13H,6-7,10-11,17H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine?
N-[1-(2-fluorophenyl)ethyl]-N,2-dimethylpentane-1,5-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.19, 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,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 113440610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).