N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine

C14H24FN — CID 155197697

IUPACN-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCC(C)C1=CC=C(N(C)C(C)(C)CF)CC1
InChIInChI=1S/C14H24FN/c1-11(2)12-6-8-13(9-7-12)16(5)14(3,4)10-15/h6,8,11H,7,9-10H2,1-5H3
InChIKeyPFMGBKMMHJQSFI-UHFFFAOYSA-N
MW225.35 g/mol
LogP3.93
Rot. Bonds4

About N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine

N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 155197697) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID155197697
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCC(C)C1=CC=C(N(C)C(C)(C)CF)CC1
InChIInChI=1S/C14H24FN/c1-11(2)12-6-8-13(9-7-12)16(5)14(3,4)10-15/h6,8,11H,7,9-10H2,1-5H3
InChIKeyPFMGBKMMHJQSFI-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 53.93
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-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine (CID 155197697) is N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine is CC(C)C1=CC=C(N(C)C(C)(C)CF)CC1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is PFMGBKMMHJQSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN/c1-11(2)12-6-8-13(9-7-12)16(5)14(3,4)10-15/h6,8,11H,7,9-10H2,1-5H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine?
N-(1-fluoro-2-methylpropan-2-yl)-N-methyl-4-propan-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 225.35 g/mol, XLogP of 3.93, 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-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155197697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).