1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

C17H27FN2 — CID 81296468

IUPAC1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNC1CCc2c(F)cccc21)N(C)C
InChIInChI=1S/C17H27FN2/c1-12(2)10-13(20(3)4)11-19-17-9-8-14-15(17)6-5-7-16(14)18/h5-7,12-13,17,19H,8-11H2,1-4H3
InChIKeyJQNVLUVHQFQZNU-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.38
Rot. Bonds6

About 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 81296468) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID81296468
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCC(C)CC(CNC1CCc2c(F)cccc21)N(C)C
InChIInChI=1S/C17H27FN2/c1-12(2)10-13(20(3)4)11-19-17-9-8-14-15(17)6-5-7-16(14)18/h5-7,12-13,17,19H,8-11H2,1-4H3
InChIKeyJQNVLUVHQFQZNU-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

1-N-(2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 43100770
4-fluoro-N-(3-methyl-2-propan-2-ylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 102904112
2-N-cyclopropyl-1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N-methylpropane-1,2-diamine
CID 103781629
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbutan-1-ol
CID 81343552
N'-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 81302237
1,1,1-trifluoro-3-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 113260457
4-fluoro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383392
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-3-methoxypropan-2-ol
CID 81338280
N-[(1-ethylcyclopropyl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 113251346
N-ethyl-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-N-methylpropanamide
CID 103107186
(2R)-2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114987002
1-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]pentan-3-ol
CID 113262785

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 81296468) is 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is CC(C)CC(CNC1CCc2c(F)cccc21)N(C)C.
What is the InChIKey of 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is JQNVLUVHQFQZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-12(2)10-13(20(3)4)11-19-17-9-8-14-15(17)6-5-7-16(14)18/h5-7,12-13,17,19H,8-11H2,1-4H3.
What are the key properties of 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 278.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 81296468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).