(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine

C13H16ClNO — CID 106437189

IUPAC(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
SMILESC/C(=C/Cl)COc1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C13H16ClNO/c1-9(7-14)8-16-11-3-4-12-10(6-11)2-5-13(12)15/h3-4,6-7,13H,2,5,8,15H2,1H3/b9-7-/t13-/m0/s1
InChIKeyJXPQBSSBUPPXIA-JWJUJFCLSA-N
MW237.73 g/mol
LogP3.15
Rot. Bonds3

About (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine

(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 106437189) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID106437189
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine
SMILESC/C(=C/Cl)COc1ccc2c(c1)CC[C@@H]2N
InChIInChI=1S/C13H16ClNO/c1-9(7-14)8-16-11-3-4-12-10(6-11)2-5-13(12)15/h3-4,6-7,13H,2,5,8,15H2,1H3/b9-7-/t13-/m0/s1
InChIKeyJXPQBSSBUPPXIA-JWJUJFCLSA-N
XLogP3.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine with MolForge

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Related Compounds

(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
5-[(Z)-3-chloro-2-methylprop-2-enoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437029
5-[(2,6-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682901
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-(3-methylbutyl)acetamide
CID 107683090
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067
5-[(3-methylphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107682898
5-(2-propylsulfonylethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683001
7-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437193
O-[(1-amino-2,3-dihydro-1H-inden-5-yl)] N,N-dimethylcarbamothioate
CID 11242761
4-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxymethyl]benzoic acid
CID 107683179
5-(1,3-thiazol-2-ylmethoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683014

Frequently Asked Questions

What is the IUPAC name of (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine (CID 106437189) is (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine is C/C(=C/Cl)COc1ccc2c(c1)CC[C@@H]2N.
What is the InChIKey of (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is JXPQBSSBUPPXIA-JWJUJFCLSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9(7-14)8-16-11-3-4-12-10(6-11)2-5-13(12)15/h3-4,6-7,13H,2,5,8,15H2,1H3/b9-7-/t13-/m0/s1.
What are the key properties of (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine?
(1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 237.73 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-[(Z)-3-chloro-2-methylprop-2-enoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106437189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).