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

C10H16FN — CID 143108220

IUPAC4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCNC1(C)C=CC(F)=CC1
InChIInChI=1S/C10H16FN/c1-3-8-12-10(2)6-4-9(11)5-7-10/h4-6,12H,3,7-8H2,1-2H3
InChIKeyMTNUQLKHHLHROP-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.56
Rot. Bonds3

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

4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine (PubChem CID 143108220) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine
PubChem CID143108220
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine
SMILESCCCNC1(C)C=CC(F)=CC1
InChIInChI=1S/C10H16FN/c1-3-8-12-10(2)6-4-9(11)5-7-10/h4-6,12H,3,7-8H2,1-2H3
InChIKeyMTNUQLKHHLHROP-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine (CID 143108220) is 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine is CCCNC1(C)C=CC(F)=CC1.
What is the InChIKey of 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine?
The InChIKey is MTNUQLKHHLHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-8-12-10(2)6-4-9(11)5-7-10/h4-6,12H,3,7-8H2,1-2H3.
What are the key properties of 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine?
4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-N-propylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 143108220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).