2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine

C11H18FN — CID 142309063

IUPAC2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine
SMILESCC1=CC=C(CN(C)CCF)CC1
InChIInChI=1S/C11H18FN/c1-10-3-5-11(6-4-10)9-13(2)8-7-12/h3,5H,4,6-9H2,1-2H3
InChIKeyTWZQMFSHMSIUHO-UHFFFAOYSA-N
MW183.27 g/mol
LogP2.55
Rot. Bonds4

About 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine

2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine (PubChem CID 142309063) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine
PubChem CID142309063
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine
SMILESCC1=CC=C(CN(C)CCF)CC1
InChIInChI=1S/C11H18FN/c1-10-3-5-11(6-4-10)9-13(2)8-7-12/h3,5H,4,6-9H2,1-2H3
InChIKeyTWZQMFSHMSIUHO-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine (CID 142309063) is 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine is CC1=CC=C(CN(C)CCF)CC1.
What is the InChIKey of 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine?
The InChIKey is TWZQMFSHMSIUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN/c1-10-3-5-11(6-4-10)9-13(2)8-7-12/h3,5H,4,6-9H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine?
2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine has a molecular weight of 183.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[(4-methylcyclohexa-1,3-dien-1-yl)methyl]ethanamine is sourced from PubChem (CID 142309063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).