4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine

C14H21NO2 — CID 12773157

IUPAC4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCNC1Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C14H21NO2/c1-4-7-15-10-8-11-12(9-10)14(17-3)6-5-13(11)16-2/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyIUQDDCOMUSMULY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds5

About 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine

4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 12773157) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
PubChem CID12773157
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
SMILESCCCNC1Cc2c(OC)ccc(OC)c2C1
InChIInChI=1S/C14H21NO2/c1-4-7-15-10-8-11-12(9-10)14(17-3)6-5-13(11)16-2/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyIUQDDCOMUSMULY-UHFFFAOYSA-N
XLogP2.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 12924823
(2R)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10656511
(6S)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494596
(6R)-1-methoxy-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 125494595
1-(2-methoxy-5-methylphenyl)-N-propylpiperidin-4-amine
CID 43315083
8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740382
5-methoxy-N-octyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 23635993
3-(2-hydroxyethylamino)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
CID 3029499
8-bromo-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737652
7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10082172
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713435
5-methoxy-N,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 22082782

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine (CID 12773157) is 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine is CCCNC1Cc2c(OC)ccc(OC)c2C1.
What is the InChIKey of 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is IUQDDCOMUSMULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-7-15-10-8-11-12(9-10)14(17-3)6-5-13(11)16-2/h5-6,10,15H,4,7-9H2,1-3H3.
What are the key properties of 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine?
4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 235.33 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 12773157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).