1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine

C14H21NO — CID 170890550

IUPAC1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
SMILESCCC(N)Cc1cc2c(cc1OC)CCC2
InChIInChI=1S/C14H21NO/c1-3-13(15)8-12-7-10-5-4-6-11(10)9-14(12)16-2/h7,9,13H,3-6,8,15H2,1-2H3
InChIKeyLGLXVOLGPNQVNJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.46
Rot. Bonds4

About 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine

1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine (PubChem CID 170890550) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
PubChem CID170890550
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine
SMILESCCC(N)Cc1cc2c(cc1OC)CCC2
InChIInChI=1S/C14H21NO/c1-3-13(15)8-12-7-10-5-4-6-11(10)9-14(12)16-2/h7,9,13H,3-6,8,15H2,1-2H3
InChIKeyLGLXVOLGPNQVNJ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-2-aminobutyl]-2,5-dimethoxyaniline
CID 54283299
4-(2-aminobutyl)-2,5-dimethoxyaniline;hydrochloride
CID 45264254
1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
1-(2-ethyl-4,5-dimethoxyphenyl)butan-2-amine;hydrochloride
CID 170890492
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
1-[5-ethoxy-2-methoxy-4-(methoxymethyl)phenyl]butan-2-amine
CID 167243568
1-[4-(3,3-difluorobutyl)-2,5-dimethoxyphenyl]butan-2-amine
CID 176553694
1-(3-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpropan-2-amine
CID 117339388
1-(2,5-difluoro-4-methoxyphenyl)butan-2-amine
CID 170890367
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
1-(2-methoxy-5-propylphenyl)butan-2-amine
CID 170890563

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine (CID 170890550) is 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine is CCC(N)Cc1cc2c(cc1OC)CCC2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine?
The InChIKey is LGLXVOLGPNQVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-13(15)8-12-7-10-5-4-6-11(10)9-14(12)16-2/h7,9,13H,3-6,8,15H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine?
1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1H-inden-5-yl)butan-2-amine is sourced from PubChem (CID 170890550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).