1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine

C9H12FN — CID 143321404

IUPAC1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
SMILESCNCC1=CC=C(F)C=CC1
InChIInChI=1S/C9H12FN/c1-11-7-8-3-2-4-9(10)6-5-8/h2,4-6,11H,3,7H2,1H3
InChIKeyBDHWZXGJOXCAAQ-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.95
Rot. Bonds2

About 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine

1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine (PubChem CID 143321404) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
PubChem CID143321404
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
SMILESCNCC1=CC=C(F)C=CC1
InChIInChI=1S/C9H12FN/c1-11-7-8-3-2-4-9(10)6-5-8/h2,4-6,11H,3,7H2,1H3
InChIKeyBDHWZXGJOXCAAQ-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine (CID 143321404) is 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine is CNCC1=CC=C(F)C=CC1.
What is the InChIKey of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
The InChIKey is BDHWZXGJOXCAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-11-7-8-3-2-4-9(10)6-5-8/h2,4-6,11H,3,7H2,1H3.
What are the key properties of 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine?
1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine has a molecular weight of 153.20 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine is sourced from PubChem (CID 143321404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).