1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine

C17H27NO — CID 116760450

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NO/c1-4-17(5-2,19-3)16(18)12-13-9-10-14-7-6-8-15(14)11-13/h9-11,16H,4-8,12,18H2,1-3H3
InChIKeyAFXZADGNIKANOV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.25
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine

1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine (PubChem CID 116760450) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
PubChem CID116760450
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NO/c1-4-17(5-2,19-3)16(18)12-13-9-10-14-7-6-8-15(14)11-13/h9-11,16H,4-8,12,18H2,1-3H3
InChIKeyAFXZADGNIKANOV-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-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

1-(2,3-dihydro-1H-inden-5-yl)-3-N,3-N,3-trimethylpentane-2,3-diamine
CID 79063497
1-(2,3-dihydro-1H-inden-5-yl)-3-ethylsulfanylpropan-2-amine
CID 65127704
1-(2,3-dihydro-1H-inden-5-yl)-5-methoxypentan-2-amine
CID 65092625
methyl 3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoate
CID 82351473
6-(2-chloropropyl)-1,2,3,4-tetrahydronaphthalene
CID 82255501
1-(2,3-dihydro-1H-inden-5-yl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103559393
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxybutan-1-amine
CID 83837271
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 115864950
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 115865080
2-(2,3-dihydro-1H-inden-5-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864890
1-(2,3-dihydro-1H-inden-5-yl)-3-phenylpentan-2-amine
CID 115864978
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]butan-2-amine
CID 63819994

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine (CID 116760450) is 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine is CCC(CC)(OC)C(N)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine?
The InChIKey is AFXZADGNIKANOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-17(5-2,19-3)16(18)12-13-9-10-14-7-6-8-15(14)11-13/h9-11,16H,4-8,12,18H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine?
1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-3-ethyl-3-methoxypentan-2-amine is sourced from PubChem (CID 116760450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).