(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine

C18H29NO2 — CID 104944785

IUPAC(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCCC1(C)C[C@@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-8-11-18(2)13-16(19)15-10-9-14(20-3)12-17(15)21-18/h9-10,12,16H,4-8,11,13,19H2,1-3H3/t16-,18?/m1/s1
InChIKeySZQXZQRKVGCXPK-PYUWXLGESA-N
MW291.44 g/mol
LogP4.60
Rot. Bonds7

About (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine

(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 104944785) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID104944785
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCCC1(C)C[C@@H](N)c2ccc(OC)cc2O1
InChIInChI=1S/C18H29NO2/c1-4-5-6-7-8-11-18(2)13-16(19)15-10-9-14(20-3)12-17(15)21-18/h9-10,12,16H,4-8,11,13,19H2,1-3H3/t16-,18?/m1/s1
InChIKeySZQXZQRKVGCXPK-PYUWXLGESA-N
XLogP4.60
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.60
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-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989
(4S)-7-methoxy-2-methyl-2-pentyl-3,4-dihydrochromen-4-ol
CID 104948818
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950
(4S)-7-bromo-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104945747
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
CID 104944982
(4S)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944611
2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 114708780
(4R)-2-ethyl-7-methoxy-2-(2-methylbutyl)-3,4-dihydrochromen-4-amine
CID 104944803
(4R)-7-methoxy-2-methyl-2-(3-methylbutyl)-3,4-dihydrochromen-4-ol
CID 104948574
3',7-dimethoxyspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 106825079
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
7-methoxy-2-methyl-2-(4,4,4-trifluorobutyl)-3,4-dihydrochromen-4-ol
CID 114714275

Frequently Asked Questions

What is the IUPAC name of (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine (CID 104944785) is (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine is CCCCCCCC1(C)C[C@@H](N)c2ccc(OC)cc2O1.
What is the InChIKey of (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is SZQXZQRKVGCXPK-PYUWXLGESA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-5-6-7-8-11-18(2)13-16(19)15-10-9-14(20-3)12-17(15)21-18/h9-10,12,16H,4-8,11,13,19H2,1-3H3/t16-,18?/m1/s1.
What are the key properties of (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine?
(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 291.44 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104944785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).