N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine

C15H25FN2 — CID 43192144

IUPACN'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCC(NCC(C)(C)CN(C)C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-12(13-7-6-8-14(16)9-13)17-10-15(2,3)11-18(4)5/h6-9,12,17H,10-11H2,1-5H3
InChIKeyZVBVMHZEQODWPW-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.06
Rot. Bonds6

About N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine

N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine (PubChem CID 43192144) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
PubChem CID43192144
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
SMILESCC(NCC(C)(C)CN(C)C)c1cccc(F)c1
InChIInChI=1S/C15H25FN2/c1-12(13-7-6-8-14(16)9-13)17-10-15(2,3)11-18(4)5/h6-9,12,17H,10-11H2,1-5H3
InChIKeyZVBVMHZEQODWPW-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460526
2,2,3,3-tetrafluoro-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 112741217
(2R)-1-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 93081927
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43192108
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43097278
1-(dimethylamino)-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]ethylamino]propan-2-ol
CID 103904346
4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]-N,N-dimethylaniline
CID 28682596
N-ethyl-N-(3-fluorophenyl)-2,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62257454
4-[1-(3-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248124
2-[1-(3-fluorophenyl)ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 60696807
N-[(1R)-1-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83155543
(2S)-4-[[(1R)-1-(3-fluorophenyl)ethyl]amino]butan-2-ol
CID 96787699

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine (CID 43192144) is N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine is CC(NCC(C)(C)CN(C)C)c1cccc(F)c1.
What is the InChIKey of N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
The InChIKey is ZVBVMHZEQODWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-12(13-7-6-8-14(16)9-13)17-10-15(2,3)11-18(4)5/h6-9,12,17H,10-11H2,1-5H3.
What are the key properties of N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine?
N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine has a molecular weight of 252.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-fluorophenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 43192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).