(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

C18H25NO — CID 103278037

IUPAC(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1=CC(C)CC(C2C[C@@H](N)c3cc(C)ccc3O2)C1
InChIInChI=1S/C18H25NO/c1-11-4-5-17-15(9-11)16(19)10-18(20-17)14-7-12(2)6-13(3)8-14/h4-6,9,12,14,16,18H,7-8,10,19H2,1-3H3/t12?,14?,16-,18?/m1/s1
InChIKeyPNXWYPBQUCSBAW-DNJXLGERSA-N
MW271.40 g/mol
LogP4.14
Rot. Bonds1

About (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103278037) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID103278037
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCC1=CC(C)CC(C2C[C@@H](N)c3cc(C)ccc3O2)C1
InChIInChI=1S/C18H25NO/c1-11-4-5-17-15(9-11)16(19)10-18(20-17)14-7-12(2)6-13(3)8-14/h4-6,9,12,14,16,18H,7-8,10,19H2,1-3H3/t12?,14?,16-,18?/m1/s1
InChIKeyPNXWYPBQUCSBAW-DNJXLGERSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine with MolForge

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Related Compounds

(4S)-6-chloro-2-(3,5-dimethylcyclohex-3-en-1-yl)-3,4-dihydro-2H-chromen-4-amine
CID 103278027
2-(3,5-dimethylcyclohex-3-en-1-yl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103278012
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586
(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107134004
(4S)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 103277996
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 103277997
6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709605
6-methyl-2-(4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709682
(4S)-2-tert-butyl-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946373
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine (CID 103278037) is (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is CC1=CC(C)CC(C2C[C@@H](N)c3cc(C)ccc3O2)C1.
What is the InChIKey of (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PNXWYPBQUCSBAW-DNJXLGERSA-N. The full InChI is InChI=1S/C18H25NO/c1-11-4-5-17-15(9-11)16(19)10-18(20-17)14-7-12(2)6-13(3)8-14/h4-6,9,12,14,16,18H,7-8,10,19H2,1-3H3/t12?,14?,16-,18?/m1/s1.
What are the key properties of (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 271.40 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103278037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).