N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine

C15H24FN — CID 155197696

IUPACN-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine
SMILESCC(C)C1=CC=C(N(C)C(C)(C)CF)C=CC1
InChIInChI=1S/C15H24FN/c1-12(2)13-7-6-8-14(10-9-13)17(5)15(3,4)11-16/h6,8-10,12H,7,11H2,1-5H3
InChIKeyDENVBEYTAYVBET-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.09
Rot. Bonds4

About N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine

N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine (PubChem CID 155197696) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine
PubChem CID155197696
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine
SMILESCC(C)C1=CC=C(N(C)C(C)(C)CF)C=CC1
InChIInChI=1S/C15H24FN/c1-12(2)13-7-6-8-14(10-9-13)17(5)15(3,4)11-16/h6,8-10,12H,7,11H2,1-5H3
InChIKeyDENVBEYTAYVBET-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine (CID 155197696) is N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine is CC(C)C1=CC=C(N(C)C(C)(C)CF)C=CC1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
The InChIKey is DENVBEYTAYVBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-12(2)13-7-6-8-14(10-9-13)17(5)15(3,4)11-16/h6,8-10,12H,7,11H2,1-5H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine?
N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohepta-1,3,6-trien-1-amine is sourced from PubChem (CID 155197696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).