4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine

C10H16FNO — CID 174310276

IUPAC4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
SMILESCCCOC1=CC(F)=CCC1NC
InChIInChI=1S/C10H16FNO/c1-3-6-13-10-7-8(11)4-5-9(10)12-2/h4,7,9,12H,3,5-6H2,1-2H3
InChIKeyAPABXMKYSPFUHO-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.14
Rot. Bonds4

About 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine

4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine (PubChem CID 174310276) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
PubChem CID174310276
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine
SMILESCCCOC1=CC(F)=CCC1NC
InChIInChI=1S/C10H16FNO/c1-3-6-13-10-7-8(11)4-5-9(10)12-2/h4,7,9,12H,3,5-6H2,1-2H3
InChIKeyAPABXMKYSPFUHO-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine (CID 174310276) is 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine is CCCOC1=CC(F)=CCC1NC.
What is the InChIKey of 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine?
The InChIKey is APABXMKYSPFUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-6-13-10-7-8(11)4-5-9(10)12-2/h4,7,9,12H,3,5-6H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine?
4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine has a molecular weight of 185.24 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-2-propoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 174310276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).