(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine

C11H14BrNO — CID 131086555

IUPAC(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1cc(Br)c2c(c1)CC[C@@H]2N
InChIInChI=1S/C11H14BrNO/c1-2-14-8-5-7-3-4-10(13)11(7)9(12)6-8/h5-6,10H,2-4,13H2,1H3/t10-/m0/s1
InChIKeyYURLFXCTCOZMIS-JTQLQIEISA-N
MW256.14 g/mol
LogP2.79
Rot. Bonds2

About (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine

(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 131086555) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID131086555
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine
SMILESCCOc1cc(Br)c2c(c1)CC[C@@H]2N
InChIInChI=1S/C11H14BrNO/c1-2-14-8-5-7-3-4-10(13)11(7)9(12)6-8/h5-6,10H,2-4,13H2,1H3/t10-/m0/s1
InChIKeyYURLFXCTCOZMIS-JTQLQIEISA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-5-bromo-7-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417759
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
(1R)-5-methoxy-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130682288
2,6-dibromo-4-ethoxyaniline
CID 14043930
(1R)-5-bromo-7,8-diethoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79014184
5-ethoxy-2,3-dihydro-1H-inden-2-amine
CID 90944154
8-bromo-1,2,3,4-tetrahydronaphthalene-1,6-diamine
CID 130044107
4-[7-bromo-5-(ethoxyphosphanylmethoxy)-2,3-dihydro-1H-inden-1-yl]-2-propan-2-ylphenol
CID 156555596
7-methoxy-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 68632948
(1R)-7-methoxy-5-methyl-2,3-dihydro-1H-inden-1-amine
CID 130713773
4-bromo-1-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737842
8-bromo-5-ethoxy-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417517

Frequently Asked Questions

What is the IUPAC name of (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine (CID 131086555) is (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine is CCOc1cc(Br)c2c(c1)CC[C@@H]2N.
What is the InChIKey of (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YURLFXCTCOZMIS-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14BrNO/c1-2-14-8-5-7-3-4-10(13)11(7)9(12)6-8/h5-6,10H,2-4,13H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine?
(1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 256.14 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-bromo-5-ethoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 131086555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).