N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine

C17H27NO2 — CID 103228429

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NO2/c1-13(2)10-18-11-17(12-19-3)20-16-8-7-14-5-4-6-15(14)9-16/h7-9,13,17-18H,4-6,10-12H2,1-3H3
InChIKeyKXVBRUKEXXSXRV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.81
Rot. Bonds8

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine

N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine (PubChem CID 103228429) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
PubChem CID103228429
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
SMILESCOCC(CNCC(C)C)Oc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NO2/c1-13(2)10-18-11-17(12-19-3)20-16-8-7-14-5-4-6-15(14)9-16/h7-9,13,17-18H,4-6,10-12H2,1-3H3
InChIKeyKXVBRUKEXXSXRV-UHFFFAOYSA-N
XLogP2.81
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxy-N-propylpropan-1-amine
CID 103228424
N-[3-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl]-2-methylpropan-2-amine
CID 103228618
3-methyl-N-(2-methylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 63496494
N-[2-(1,3-benzodioxol-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228067
N-[2-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228528
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
N-ethyl-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 62486153
3-amino-4-methoxy-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-ol
CID 114358211
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
N-[2-(2,3-dihydro-1H-inden-5-yloxy)propyl]aniline
CID 62598550
3-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62459279

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine (CID 103228429) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine is COCC(CNCC(C)C)Oc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
The InChIKey is KXVBRUKEXXSXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-13(2)10-18-11-17(12-19-3)20-16-8-7-14-5-4-6-15(14)9-16/h7-9,13,17-18H,4-6,10-12H2,1-3H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)-3-methoxypropyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103228429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).