2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine

C13H20N2O — CID 163794602

IUPAC2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine
SMILESCC(N)CCC1CCc2cc(N)ccc2O1
InChIInChI=1S/C13H20N2O/c1-9(14)2-5-12-6-3-10-8-11(15)4-7-13(10)16-12/h4,7-9,12H,2-3,5-6,14-15H2,1H3
InChIKeyMZRWALLYBYGJHW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.09
Rot. Bonds3

About 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine

2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine (PubChem CID 163794602) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine.

Molecular Properties

Compound Name2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine
PubChem CID163794602
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine
SMILESCC(N)CCC1CCc2cc(N)ccc2O1
InChIInChI=1S/C13H20N2O/c1-9(14)2-5-12-6-3-10-8-11(15)4-7-13(10)16-12/h4,7-9,12H,2-3,5-6,14-15H2,1H3
InChIKeyMZRWALLYBYGJHW-UHFFFAOYSA-N
XLogP2.09
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(6-amino-3,4-dihydro-2H-chromen-2-yl)acetate;hydrochloride
CID 157401731
2,2-dimethylpropane;ethane;(2R)-2-methyl-3,4-dihydro-2H-chromen-6-amine
CID 142100009
2-tert-butyl-3,4-dihydro-2H-chromen-6-amine
CID 117046595
2-N-(3,4-dihydro-2H-chromen-2-yl)-3,4-dihydro-2H-chromene-2,6-diamine
CID 57170099
2-(4-methylphenyl)-3,4-dihydro-2H-chromen-6-amine
CID 117046590
5,6-dihydrobenzo[b][1]benzoxepine-3,8-diamine
CID 68966932
2-(methoxymethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 70332550
2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-6-amine
CID 117046583
2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
ethene;2-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine;propan-1-ol
CID 142228186
2-(bromomethyl)-6-fluoro-3,4-dihydro-2H-chromene
CID 69246193
methyl 3-[(2R)-6-bromo-3,4-dihydro-2H-chromen-2-yl]propanoate
CID 138319732

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine?
The IUPAC name of 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine (CID 163794602) is 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine.
What is the SMILES notation for 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine?
The canonical SMILES for 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine is CC(N)CCC1CCc2cc(N)ccc2O1.
What is the InChIKey of 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine?
The InChIKey is MZRWALLYBYGJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(14)2-5-12-6-3-10-8-11(15)4-7-13(10)16-12/h4,7-9,12H,2-3,5-6,14-15H2,1H3.
What are the key properties of 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine?
2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine has a molecular weight of 220.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutyl)-3,4-dihydro-2H-chromen-6-amine is sourced from PubChem (CID 163794602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).