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

C16H27FN2 — CID 62978792

IUPAC2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)CC(C)(C)C
InChIInChI=1S/C16H27FN2/c1-12(14-8-6-7-9-15(14)17)19(5)13(11-18)10-16(2,3)4/h6-9,12-13H,10-11,18H2,1-5H3
InChIKeyRDHCWKNLGSGXSX-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.58
Rot. Bonds5

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

2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine (PubChem CID 62978792) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
PubChem CID62978792
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC Name2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine
SMILESCC(c1ccccc1F)N(C)C(CN)CC(C)(C)C
InChIInChI=1S/C16H27FN2/c1-12(14-8-6-7-9-15(14)17)19(5)13(11-18)10-16(2,3)4/h6-9,12-13H,10-11,18H2,1-5H3
InChIKeyRDHCWKNLGSGXSX-UHFFFAOYSA-N
XLogP3.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-[1-(2-fluorophenyl)ethyl-methylamino]-N,N-dimethylbutanamide
CID 66431255
1-(2-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980719
3-N-[1-(2-fluorophenyl)ethyl]-3-N,4,4-trimethylpentane-2,3-diamine
CID 62979298
1-(4-bromophenyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62978774
1-[1-(2-fluorophenyl)ethyl-methylamino]-2-methylpropan-2-ol
CID 62980625
1-N-[1-(2-fluorophenyl)ethyl]-1-N,2,2-trimethylbutane-1,3-diamine
CID 66452582
1-(5-bromothiophen-2-yl)-N-[1-(2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 62980007
N'-[1-(2-fluorophenyl)ethyl]-N'-methylhexane-1,6-diamine
CID 62985248
1-[1-(2-fluorophenyl)ethyl-methylamino]-3,3-dimethylbutan-2-ol
CID 55139894
N'-[1-(2-fluorophenyl)ethyl]-2-methoxy-N'-methylpropane-1,3-diamine
CID 106114801
2-[1-(2-fluorophenyl)ethyl-methylamino]butanamide
CID 62985920
2-(2-fluorophenyl)-4-methylpentan-1-amine
CID 79001901

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine (CID 62978792) is 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine is CC(c1ccccc1F)N(C)C(CN)CC(C)(C)C.
What is the InChIKey of 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine?
The InChIKey is RDHCWKNLGSGXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-12(14-8-6-7-9-15(14)17)19(5)13(11-18)10-16(2,3)4/h6-9,12-13H,10-11,18H2,1-5H3.
What are the key properties of 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine?
2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine has a molecular weight of 266.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(2-fluorophenyl)ethyl]-2-N,4,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 62978792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).