(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine

C15H22FNO — CID 104947950

IUPAC(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCC1(C)C[C@@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C15H22FNO/c1-3-4-5-8-15(2)10-13(17)12-7-6-11(16)9-14(12)18-15/h6-7,9,13H,3-5,8,10,17H2,1-2H3/t13-,15?/m1/s1
InChIKeyNWKVQTULZVHXBA-AFYYWNPRSA-N
MW251.34 g/mol
LogP3.95
Rot. Bonds4

About (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine

(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine (PubChem CID 104947950) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
PubChem CID104947950
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
SMILESCCCCCC1(C)C[C@@H](N)c2ccc(F)cc2O1
InChIInChI=1S/C15H22FNO/c1-3-4-5-8-15(2)10-13(17)12-7-6-11(16)9-14(12)18-15/h6-7,9,13H,3-5,8,10,17H2,1-2H3/t13-,15?/m1/s1
InChIKeyNWKVQTULZVHXBA-AFYYWNPRSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-7-bromo-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104945747
(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104944785
7-fluoro-2-methyl-2-pentyl-N-propyl-3,4-dihydrochromen-4-amine
CID 114713953
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
(4R)-2-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989
7-fluoro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-amine
CID 114710216
(4R)-6-fluoro-2,2-dipropyl-3,4-dihydrochromen-4-amine
CID 68594998
(4S)-7-fluoro-1'-propylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 104947626
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664
2-(ethoxymethyl)-6-fluoro-2-methyl-3,4-dihydrochromen-4-amine
CID 114708695
4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409857
7-fluoro-2',6'-dimethylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114710301

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine (CID 104947950) is (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine is CCCCCC1(C)C[C@@H](N)c2ccc(F)cc2O1.
What is the InChIKey of (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine?
The InChIKey is NWKVQTULZVHXBA-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H22FNO/c1-3-4-5-8-15(2)10-13(17)12-7-6-11(16)9-14(12)18-15/h6-7,9,13H,3-5,8,10,17H2,1-2H3/t13-,15?/m1/s1.
What are the key properties of (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine?
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine has a molecular weight of 251.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104947950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).