6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine

C14H19NO2 — CID 114709605

IUPAC6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(C1CCCO1)O2
InChIInChI=1S/C14H19NO2/c1-9-4-5-12-10(7-9)11(15)8-14(17-12)13-3-2-6-16-13/h4-5,7,11,13-14H,2-3,6,8,15H2,1H3
InChIKeyBKMQSMXTIPJGOS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.32
Rot. Bonds1

About 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine

6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114709605) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID114709605
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc2c(c1)C(N)CC(C1CCCO1)O2
InChIInChI=1S/C14H19NO2/c1-9-4-5-12-10(7-9)11(15)8-14(17-12)13-3-2-6-16-13/h4-5,7,11,13-14H,2-3,6,8,15H2,1H3
InChIKeyBKMQSMXTIPJGOS-UHFFFAOYSA-N
XLogP2.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6-methyl-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104946305
6-methyl-2-(3-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709586
(4R)-6-methyl-2-(thiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 107134004
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
2-(3,5-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709766
(4S)-2-(2,4-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946448
(4R)-2-(3,5-dimethylcyclohex-3-en-1-yl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 103278037
(4R)-2-(2,6-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946645
(4R)-6-methyl-2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104946698
2-(2,3-dimethylphenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709598
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine (CID 114709605) is 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc2c(c1)C(N)CC(C1CCCO1)O2.
What is the InChIKey of 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is BKMQSMXTIPJGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-4-5-12-10(7-9)11(15)8-14(17-12)13-3-2-6-16-13/h4-5,7,11,13-14H,2-3,6,8,15H2,1H3.
What are the key properties of 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine?
6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(oxolan-2-yl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114709605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).