1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine

C14H21NO — CID 114746879

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
SMILESCCC(N)CCc1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-2-13(15)9-8-12-6-3-5-11-7-4-10-16-14(11)12/h3,5-6,13H,2,4,7-10,15H2,1H3
InChIKeyILOQQYJCYPJNDX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.68
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine

1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine (PubChem CID 114746879) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
PubChem CID114746879
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
SMILESCCC(N)CCc1cccc2c1OCCC2
InChIInChI=1S/C14H21NO/c1-2-13(15)9-8-12-6-3-5-11-7-4-10-16-14(11)12/h3,5-6,13H,2,4,7-10,15H2,1H3
InChIKeyILOQQYJCYPJNDX-UHFFFAOYSA-N
XLogP2.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
CID 114746942
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
CID 114746846
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
CID 114747076
1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylhexan-1-amine
CID 105049013
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine (CID 114746879) is 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine is CCC(N)CCc1cccc2c1OCCC2.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine?
The InChIKey is ILOQQYJCYPJNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-13(15)9-8-12-6-3-5-11-7-4-10-16-14(11)12/h3,5-6,13H,2,4,7-10,15H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine?
1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine is sourced from PubChem (CID 114746879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).