8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

C14H19ClFNO — CID 64699313

IUPAC8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(C)Oc2c(Cl)cc(F)cc21
InChIInChI=1S/C14H19ClFNO/c1-4-5-17-12-8-14(2,3)18-13-10(12)6-9(16)7-11(13)15/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyRUBRINDAOXOKHM-UHFFFAOYSA-N
MW271.76 g/mol
LogP4.08
Rot. Bonds3

About 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine

8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (PubChem CID 64699313) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
PubChem CID64699313
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine
SMILESCCCNC1CC(C)(C)Oc2c(Cl)cc(F)cc21
InChIInChI=1S/C14H19ClFNO/c1-4-5-17-12-8-14(2,3)18-13-10(12)6-9(16)7-11(13)15/h6-7,12,17H,4-5,8H2,1-3H3
InChIKeyRUBRINDAOXOKHM-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The IUPAC name of 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine (CID 64699313) is 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is CCCNC1CC(C)(C)Oc2c(Cl)cc(F)cc21.
What is the InChIKey of 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
The InChIKey is RUBRINDAOXOKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-4-5-17-12-8-14(2,3)18-13-10(12)6-9(16)7-11(13)15/h6-7,12,17H,4-5,8H2,1-3H3.
What are the key properties of 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine?
8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine has a molecular weight of 271.76 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-2,2-dimethyl-N-propyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 64699313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).