6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine

C14H20FNO — CID 114708664

IUPAC6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCC(C)CC1(C)CC(N)c2cc(F)ccc2O1
InChIInChI=1S/C14H20FNO/c1-9(2)7-14(3)8-12(16)11-6-10(15)4-5-13(11)17-14/h4-6,9,12H,7-8,16H2,1-3H3
InChIKeyABLJELZDVPWWTD-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.41
Rot. Bonds2

About 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine

6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine (PubChem CID 114708664) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
PubChem CID114708664
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
SMILESCC(C)CC1(C)CC(N)c2cc(F)ccc2O1
InChIInChI=1S/C14H20FNO/c1-9(2)7-14(3)8-12(16)11-6-10(15)4-5-13(11)17-14/h4-6,9,12H,7-8,16H2,1-3H3
InChIKeyABLJELZDVPWWTD-UHFFFAOYSA-N
XLogP3.41
TPSA35.25 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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 114708695
(4S)-2-ethyl-6-fluoro-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944178
2,2-diethyl-6-fluoro-3,4-dihydrochromen-4-amine
CID 68597302
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68594998
6-fluoro-1',1',5',5'-tetramethylspiro[3,4-dihydrochromene-2,3'-cyclohexane]-4-amine
CID 114708653
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
(4S)-3'-ethoxy-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825097
2-ethyl-6-fluoro-2-methyl-4-propan-2-yloxy-3,4-dihydrochromene
CID 123599111
(4R)-6-methoxy-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 104980348
6-fluoro-4'-methylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 114708600
(4S)-4'-ethyl-6-fluorospiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 104944151
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The IUPAC name of 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine (CID 114708664) is 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The canonical SMILES for 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine is CC(C)CC1(C)CC(N)c2cc(F)ccc2O1.
What is the InChIKey of 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
The InChIKey is ABLJELZDVPWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-9(2)7-14(3)8-12(16)11-6-10(15)4-5-13(11)17-14/h4-6,9,12H,7-8,16H2,1-3H3.
What are the key properties of 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine?
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine has a molecular weight of 237.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 114708664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).