(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine

C14H21NO — CID 104946122

IUPAC(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(CC)C1C[C@@H](N)c2ccccc2O1
InChIInChI=1S/C14H21NO/c1-3-10(4-2)14-9-12(15)11-7-5-6-8-13(11)16-14/h5-8,10,12,14H,3-4,9,15H2,1-2H3/t12-,14?/m1/s1
InChIKeyKYALNVJJOTXCIU-PUODRLBUSA-N
MW219.33 g/mol
LogP3.27
Rot. Bonds3

About (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine

(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104946122) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID104946122
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCC(CC)C1C[C@@H](N)c2ccccc2O1
InChIInChI=1S/C14H21NO/c1-3-10(4-2)14-9-12(15)11-7-5-6-8-13(11)16-14/h5-8,10,12,14H,3-4,9,15H2,1-2H3/t12-,14?/m1/s1
InChIKeyKYALNVJJOTXCIU-PUODRLBUSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine (CID 104946122) is (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine is CCC(CC)C1C[C@@H](N)c2ccccc2O1.
What is the InChIKey of (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KYALNVJJOTXCIU-PUODRLBUSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-10(4-2)14-9-12(15)11-7-5-6-8-13(11)16-14/h5-8,10,12,14H,3-4,9,15H2,1-2H3/t12-,14?/m1/s1.
What are the key properties of (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 219.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-pentan-3-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104946122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).