(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine

C17H26ClNO — CID 104944982

IUPAC(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCCC1(C)C[C@@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H26ClNO/c1-3-4-5-6-7-10-17(2)12-15(19)14-11-13(18)8-9-16(14)20-17/h8-9,11,15H,3-7,10,12,19H2,1-2H3/t15-,17?/m1/s1
InChIKeyJSZJCEXYSXSVNQ-LDCVWXEPSA-N
MW295.85 g/mol
LogP5.24
Rot. Bonds6

About (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine

(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine (PubChem CID 104944982) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
PubChem CID104944982
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine
SMILESCCCCCCCC1(C)C[C@@H](N)c2cc(Cl)ccc2O1
InChIInChI=1S/C17H26ClNO/c1-3-4-5-6-7-10-17(2)12-15(19)14-11-13(18)8-9-16(14)20-17/h8-9,11,15H,3-7,10,12,19H2,1-2H3/t15-,17?/m1/s1
InChIKeyJSZJCEXYSXSVNQ-LDCVWXEPSA-N
XLogP5.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.24
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

6-chloro-2-hexyl-2-methyl-3,4-dihydrochromen-4-ol
CID 114714538
(4S)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-ol
CID 104949004
(4R)-2-hexyl-6-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104946989
6-chloro-2-(2-methoxyethyl)-2-methyl-3,4-dihydrochromen-4-amine
CID 114709077
(4S)-7-bromo-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104945747
(4R)-7-fluoro-2-methyl-2-pentyl-3,4-dihydrochromen-4-amine
CID 104947950
(4R)-2-heptyl-7-methoxy-2-methyl-3,4-dihydrochromen-4-amine
CID 104944785
6-chloro-2,2-bis(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114868304
(4S)-2-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-ol
CID 104950632
(4S)-2-benzyl-6-chloro-2-ethyl-3,4-dihydrochromen-4-amine
CID 104945315
6-chloro-2'-ethyl-2'-methylspiro[3,4-dihydrochromene-2,4'-oxane]-4-amine
CID 114709105
(4R)-6-chloro-3'-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-amine
CID 103565887

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine?
The IUPAC name of (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine (CID 104944982) is (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine.
What is the SMILES notation for (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine?
The canonical SMILES for (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine is CCCCCCCC1(C)C[C@@H](N)c2cc(Cl)ccc2O1.
What is the InChIKey of (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine?
The InChIKey is JSZJCEXYSXSVNQ-LDCVWXEPSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-4-5-6-7-10-17(2)12-15(19)14-11-13(18)8-9-16(14)20-17/h8-9,11,15H,3-7,10,12,19H2,1-2H3/t15-,17?/m1/s1.
What are the key properties of (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine?
(4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine has a molecular weight of 295.85 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-heptyl-2-methyl-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 104944982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).