(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

C12H14BrN — CID 87326008

IUPAC(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCN(Br)[C@@H]1CCc2ccccc21
InChIInChI=1S/C12H14BrN/c1-2-9-14(13)12-8-7-10-5-3-4-6-11(10)12/h2-6,12H,1,7-9H2/t12-/m1/s1
InChIKeyLTMAPFPZAHRNQO-GFCCVEGCSA-N
MW252.15 g/mol
LogP3.47
Rot. Bonds3

About (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 87326008) has the molecular formula C12H14BrN and a molecular weight of 252.15 g/mol. Its IUPAC name is (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
PubChem CID87326008
Molecular FormulaC12H14BrN
Molecular Weight252.15 g/mol
Exact Mass251.03
IUPAC Name(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCN(Br)[C@@H]1CCc2ccccc21
InChIInChI=1S/C12H14BrN/c1-2-9-14(13)12-8-7-10-5-3-4-6-11(10)12/h2-6,12H,1,7-9H2/t12-/m1/s1
InChIKeyLTMAPFPZAHRNQO-GFCCVEGCSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

lithium (1R)-N-methyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
CID 10511981
3-[2,3-dihydro-1H-inden-1-yl(3-hydroxypropyl)amino]propan-1-ol
CID 111333724
N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87131302
N'-(2,3-dihydro-1H-inden-1-yl)-N'-methylethane-1,2-diamine
CID 62682207
N-methyl-N-(2-methylprop-2-enyl)-2,3-dihydro-1H-inden-1-amine
CID 134049939
3-[prop-2-enyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,3-dihydroinden-1-one
CID 44817397
3-(2,3-dihydro-1H-inden-1-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424123
2-ethenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 168728590
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
N-(2,3-dihydro-1H-inden-1-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)-N-prop-2-enylacetamide
CID 42897826
2,3-dihydro-1H-inden-1-yl(methoxy)carbamic acid
CID 87438864
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422

Frequently Asked Questions

What is the IUPAC name of (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (CID 87326008) is (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is C=CCN(Br)[C@@H]1CCc2ccccc21.
What is the InChIKey of (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is LTMAPFPZAHRNQO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14BrN/c1-2-9-14(13)12-8-7-10-5-3-4-6-11(10)12/h2-6,12H,1,7-9H2/t12-/m1/s1.
What are the key properties of (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
(1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 252.15 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-bromo-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 87326008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).