4-propan-2-yl-2,3-dihydrochromen-4-amine

C12H17NO — CID 126977471

IUPAC4-propan-2-yl-2,3-dihydrochromen-4-amine
SMILESCC(C)C1(N)CCOc2ccccc21
InChIInChI=1S/C12H17NO/c1-9(2)12(13)7-8-14-11-6-4-3-5-10(11)12/h3-6,9H,7-8,13H2,1-2H3
InChIKeyWBKAZKGBUVIGJQ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.28
Rot. Bonds1

About 4-propan-2-yl-2,3-dihydrochromen-4-amine

4-propan-2-yl-2,3-dihydrochromen-4-amine (PubChem CID 126977471) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-propan-2-yl-2,3-dihydrochromen-4-amine.

Molecular Properties

Compound Name4-propan-2-yl-2,3-dihydrochromen-4-amine
PubChem CID126977471
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-propan-2-yl-2,3-dihydrochromen-4-amine
SMILESCC(C)C1(N)CCOc2ccccc21
InChIInChI=1S/C12H17NO/c1-9(2)12(13)7-8-14-11-6-4-3-5-10(11)12/h3-6,9H,7-8,13H2,1-2H3
InChIKeyWBKAZKGBUVIGJQ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-2,3-dihydrochromene-4-carboxylic acid
CID 79428676
4,4-diiodo-2,3-dihydrochromene
CID 138563808
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]-3-methylbutan-1-ol
CID 79137627
4-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydrochromen-4-amine
CID 65422015
spiro[2,3-dihydrochromene-4,9'-fluorene]
CID 170928840
ethyl 4-amino-2,3-dihydrochromene-4-carboxylate
CID 3944354
4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine
CID 114210547
1-[4-(aminomethyl)-2,3-dihydrochromen-4-yl]propan-1-ol
CID 79138768
[4-(2-propan-2-ylsulfonylethyl)-2,3-dihydrochromen-4-yl]methanamine
CID 106734060
4-hydroxy-2,3-dihydrochromene-4-carboxamide
CID 62224010
4-(aminomethyl)-2,3-dihydrochromen-4-ol;hydrochloride
CID 12914868

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2,3-dihydrochromen-4-amine?
The IUPAC name of 4-propan-2-yl-2,3-dihydrochromen-4-amine (CID 126977471) is 4-propan-2-yl-2,3-dihydrochromen-4-amine.
What is the SMILES notation for 4-propan-2-yl-2,3-dihydrochromen-4-amine?
The canonical SMILES for 4-propan-2-yl-2,3-dihydrochromen-4-amine is CC(C)C1(N)CCOc2ccccc21.
What is the InChIKey of 4-propan-2-yl-2,3-dihydrochromen-4-amine?
The InChIKey is WBKAZKGBUVIGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)12(13)7-8-14-11-6-4-3-5-10(11)12/h3-6,9H,7-8,13H2,1-2H3.
What are the key properties of 4-propan-2-yl-2,3-dihydrochromen-4-amine?
4-propan-2-yl-2,3-dihydrochromen-4-amine has a molecular weight of 191.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2,3-dihydrochromen-4-amine is sourced from PubChem (CID 126977471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).