7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine

C14H20FNO — CID 114713714

IUPAC7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C(C)C)Oc2cc(F)ccc21
InChIInChI=1S/C14H20FNO/c1-9(2)14(3)8-12(16-4)11-6-5-10(15)7-13(11)17-14/h5-7,9,12,16H,8H2,1-4H3
InChIKeyDWHVABVLVLJDFC-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.28
Rot. Bonds2

About 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine

7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine (PubChem CID 114713714) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
PubChem CID114713714
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine
SMILESCNC1CC(C)(C(C)C)Oc2cc(F)ccc21
InChIInChI=1S/C14H20FNO/c1-9(2)14(3)8-12(16-4)11-6-5-10(15)7-13(11)17-14/h5-7,9,12,16H,8H2,1-4H3
InChIKeyDWHVABVLVLJDFC-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine?
The IUPAC name of 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine (CID 114713714) is 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine?
The canonical SMILES for 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine is CNC1CC(C)(C(C)C)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine?
The InChIKey is DWHVABVLVLJDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)14(3)8-12(16-4)11-6-5-10(15)7-13(11)17-14/h5-7,9,12,16H,8H2,1-4H3.
What are the key properties of 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine?
7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine has a molecular weight of 237.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,2-dimethyl-2-propan-2-yl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114713714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).