(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine

C12H17NO — CID 82075648

IUPAC(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESCCc1ccc2c(c1)C(CN)CCO2
InChIInChI=1S/C12H17NO/c1-2-9-3-4-12-11(7-9)10(8-13)5-6-14-12/h3-4,7,10H,2,5-6,8,13H2,1H3
InChIKeyIYHWGPWBKYSJQJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.07
Rot. Bonds2

About (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine

(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine (PubChem CID 82075648) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine.

Molecular Properties

Compound Name(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
PubChem CID82075648
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine
SMILESCCc1ccc2c(c1)C(CN)CCO2
InChIInChI=1S/C12H17NO/c1-2-9-3-4-12-11(7-9)10(8-13)5-6-14-12/h3-4,7,10H,2,5-6,8,13H2,1H3
InChIKeyIYHWGPWBKYSJQJ-UHFFFAOYSA-N
XLogP2.07
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine?
The IUPAC name of (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine (CID 82075648) is (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine.
What is the SMILES notation for (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine?
The canonical SMILES for (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine is CCc1ccc2c(c1)C(CN)CCO2.
What is the InChIKey of (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine?
The InChIKey is IYHWGPWBKYSJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-9-3-4-12-11(7-9)10(8-13)5-6-14-12/h3-4,7,10H,2,5-6,8,13H2,1H3.
What are the key properties of (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine?
(6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-3,4-dihydro-2H-chromen-4-yl)methanamine is sourced from PubChem (CID 82075648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).