(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine

C16H25NO — CID 114200067

IUPAC(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CC(C)COc1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C16H25NO/c1-11(2)8-12(3)10-18-14-5-6-15-13(9-14)4-7-16(15)17/h5-6,9,11-12,16H,4,7-8,10,17H2,1-3H3/t12?,16-/m0/s1
InChIKeyYCHXDBLURRRHFB-INSVYWFGSA-N
MW247.38 g/mol
LogP3.69
Rot. Bonds5

About (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine

(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114200067) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID114200067
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CC(C)COc1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C16H25NO/c1-11(2)8-12(3)10-18-14-5-6-15-13(9-14)4-7-16(15)17/h5-6,9,11-12,16H,4,7-8,10,17H2,1-3H3/t12?,16-/m0/s1
InChIKeyYCHXDBLURRRHFB-INSVYWFGSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
(4S)-7-(2-methylpropoxy)-3,4-dihydro-1H-isochromen-4-amine
CID 131309092
5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683001
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
CID 107683090
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 82850996
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
CID 106437189
5-(2-hydroxypropoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684629
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)propanamide
CID 107682943

Frequently Asked Questions

What is the IUPAC name of (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine (CID 114200067) is (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine is CC(C)CC(C)COc1ccc2c(c1)CC[C@@H]2N.
What is the InChIKey of (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YCHXDBLURRRHFB-INSVYWFGSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)8-12(3)10-18-14-5-6-15-13(9-14)4-7-16(15)17/h5-6,9,11-12,16H,4,7-8,10,17H2,1-3H3/t12?,16-/m0/s1.
What are the key properties of (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine?
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114200067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).