2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine

C18H29NO2 — CID 106447311

IUPAC2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1OCCOCC(C)C
InChIInChI=1S/C18H29NO2/c1-4-9-19-18-16-8-6-5-7-15(16)12-17(18)21-11-10-20-13-14(2)3/h5-8,14,17-19H,4,9-13H2,1-3H3
InChIKeyPCCPWZXZLKHBCV-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.34
Rot. Bonds9

About 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine

2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 106447311) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID106447311
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1OCCOCC(C)C
InChIInChI=1S/C18H29NO2/c1-4-9-19-18-16-8-6-5-7-15(16)12-17(18)21-11-10-20-13-14(2)3/h5-8,14,17-19H,4,9-13H2,1-3H3
InChIKeyPCCPWZXZLKHBCV-UHFFFAOYSA-N
XLogP3.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 104560782
2-(cyclopentylmethoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 66322610
2-(oxetan-3-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 102606043
N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106447263
2-(1-ethoxypropan-2-yloxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103487452
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
2-propan-2-ylsulfonyl-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 64673627
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
2-(2-methylpropyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63403727
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-propoxy-N-propylpropan-2-amine
CID 66418420
2-(3-methylbutan-2-ylsulfinyl)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 107759520
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 106447311) is 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1OCCOCC(C)C.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is PCCPWZXZLKHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-4-9-19-18-16-8-6-5-7-15(16)12-17(18)21-11-10-20-13-14(2)3/h5-8,14,17-19H,4,9-13H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106447311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).