4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine

C14H21NO — CID 114746964

IUPAC4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
SMILESCC(N)CC(C)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-10(9-11(2)15)13-7-3-5-12-6-4-8-16-14(12)13/h3,5,7,10-11H,4,6,8-9,15H2,1-2H3
InChIKeyTXUCJCQTQGJOGJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.85
Rot. Bonds3

About 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine

4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine (PubChem CID 114746964) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
PubChem CID114746964
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
SMILESCC(N)CC(C)c1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-10(9-11(2)15)13-7-3-5-12-6-4-8-16-14(12)13/h3,5,7,10-11H,4,6,8-9,15H2,1-2H3
InChIKeyTXUCJCQTQGJOGJ-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-3-methylbutan-1-amine
CID 114744902
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
1-(3,4-dihydro-2H-chromen-8-yl)-2,4-dimethylpentan-1-ol
CID 114200584
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
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
1-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2-methylpropan-1-amine
CID 114745005
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
1-(3,4-dihydro-2H-chromen-8-yl)butane-1,2-diol
CID 103454473
3,4-dihydro-2H-chromen-8-yl(pyrimidin-2-yl)methanamine
CID 114744922
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
(2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745207

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine (CID 114746964) is 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine is CC(N)CC(C)c1cccc2c1OCCC2.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine?
The InChIKey is TXUCJCQTQGJOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(9-11(2)15)13-7-3-5-12-6-4-8-16-14(12)13/h3,5,7,10-11H,4,6,8-9,15H2,1-2H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine?
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine is sourced from PubChem (CID 114746964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).