6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine

C18H20FNO — CID 114708524

IUPAC6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc(C2CC(N)c3cc(F)ccc3O2)cc1
InChIInChI=1S/C18H20FNO/c1-11(2)12-3-5-13(6-4-12)18-10-16(20)15-9-14(19)7-8-17(15)21-18/h3-9,11,16,18H,10,20H2,1-2H3
InChIKeyDPTJQJKGWQBTOX-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.47
Rot. Bonds2

About 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine

6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708524) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708524
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCC(C)c1ccc(C2CC(N)c3cc(F)ccc3O2)cc1
InChIInChI=1S/C18H20FNO/c1-11(2)12-3-5-13(6-4-12)18-10-16(20)15-9-14(19)7-8-17(15)21-18/h3-9,11,16,18H,10,20H2,1-2H3
InChIKeyDPTJQJKGWQBTOX-UHFFFAOYSA-N
XLogP4.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944427
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4S)-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945853
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104944215
6-chloro-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709061
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
(4R)-2-(2,3-dichlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944424

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 114708524) is 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine is CC(C)c1ccc(C2CC(N)c3cc(F)ccc3O2)cc1.
What is the InChIKey of 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DPTJQJKGWQBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-11(2)12-3-5-13(6-4-12)18-10-16(20)15-9-14(19)7-8-17(15)21-18/h3-9,11,16,18H,10,20H2,1-2H3.
What are the key properties of 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine?
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 285.36 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).