(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine

C16H25NO2 — CID 104944789

IUPAC(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCC1C[C@@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-13-10-15(17)14-9-8-12(18-2)11-16(14)19-13/h8-9,11,13,15H,3-7,10,17H2,1-2H3/t13?,15-/m1/s1
InChIKeyRIKSLTSJFKEBSN-AWKYBWMHSA-N
MW263.38 g/mol
LogP3.82
Rot. Bonds6

About (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944789) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944789
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCC1C[C@@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C16H25NO2/c1-3-4-5-6-7-13-10-15(17)14-9-8-12(18-2)11-16(14)19-13/h8-9,11,13,15H,3-7,10,17H2,1-2H3/t13?,15-/m1/s1
InChIKeyRIKSLTSJFKEBSN-AWKYBWMHSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946961
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
CID 104947821
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine
CID 114709267
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
2-benzyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114708832
(4R)-2-(cyclohexylmethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944916
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
(4R)-7-methoxy-2-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104944786

Frequently Asked Questions

What is the IUPAC name of (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104944789) is (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is CCCCCCC1C[C@@H](N)c2ccc(OC)cc2O1.
What is the InChIKey of (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is RIKSLTSJFKEBSN-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-4-5-6-7-13-10-15(17)14-9-8-12(18-2)11-16(14)19-13/h8-9,11,13,15H,3-7,10,17H2,1-2H3/t13?,15-/m1/s1.
What are the key properties of (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.38 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).