7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine

C12H17NO — CID 160922016

IUPAC7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine
SMILESCC(C)c1ccc2c(c1N)OCCC2
InChIInChI=1S/C12H17NO/c1-8(2)10-6-5-9-4-3-7-14-12(9)11(10)13/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeySSDSAZYAPYQMNB-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.72
Rot. Bonds1

About 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine

7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine (PubChem CID 160922016) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine.

Molecular Properties

Compound Name7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine
PubChem CID160922016
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine
SMILESCC(C)c1ccc2c(c1N)OCCC2
InChIInChI=1S/C12H17NO/c1-8(2)10-6-5-9-4-3-7-14-12(9)11(10)13/h5-6,8H,3-4,7,13H2,1-2H3
InChIKeySSDSAZYAPYQMNB-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 130845713
5-iodo-8-propan-2-yl-3,4-dihydro-2H-chromene
CID 146614842
1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
1-[2-(3,4-dihydro-2H-chromen-8-yl)phenyl]ethanamine
CID 114746628
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
CID 105049013
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
7-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 118504510

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine?
The IUPAC name of 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine (CID 160922016) is 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine.
What is the SMILES notation for 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine?
The canonical SMILES for 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine is CC(C)c1ccc2c(c1N)OCCC2.
What is the InChIKey of 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine?
The InChIKey is SSDSAZYAPYQMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)10-6-5-9-4-3-7-14-12(9)11(10)13/h5-6,8H,3-4,7,13H2,1-2H3.
What are the key properties of 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine?
7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine has a molecular weight of 191.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-3,4-dihydro-2H-chromen-8-amine is sourced from PubChem (CID 160922016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).