(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

C17H27NO2 — CID 104946961

IUPAC(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCCC1C[C@@H](N)c2cc(OC)ccc2O1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-14-12-16(18)15-11-13(19-2)9-10-17(15)20-14/h9-11,14,16H,3-8,12,18H2,1-2H3/t14?,16-/m1/s1
InChIKeyKBMRCKQXDZEHQW-BZSJEYESSA-N
MW277.41 g/mol
LogP4.21
Rot. Bonds7

About (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine

(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946961) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946961
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCCC1C[C@@H](N)c2cc(OC)ccc2O1
InChIInChI=1S/C17H27NO2/c1-3-4-5-6-7-8-14-12-16(18)15-11-13(19-2)9-10-17(15)20-14/h9-11,14,16H,3-8,12,18H2,1-2H3/t14?,16-/m1/s1
InChIKeyKBMRCKQXDZEHQW-BZSJEYESSA-N
XLogP4.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.21
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

(4S)-2-butyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946892
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
(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-ethyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114709859
N-ethyl-2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 114713035
(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
(4R)-2-(cyclohexylmethyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104947122
(4R)-7-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-amine
CID 104947821
7-bromo-2-pentyl-3,4-dihydro-2H-chromen-4-amine
CID 114709267
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582
(4R)-2-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989

Frequently Asked Questions

What is the IUPAC name of (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine (CID 104946961) is (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is CCCCCCCC1C[C@@H](N)c2cc(OC)ccc2O1.
What is the InChIKey of (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KBMRCKQXDZEHQW-BZSJEYESSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-4-5-6-7-8-14-12-16(18)15-11-13(19-2)9-10-17(15)20-14/h9-11,14,16H,3-8,12,18H2,1-2H3/t14?,16-/m1/s1.
What are the key properties of (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 277.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).