(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine

C19H22BrN — CID 81356166

IUPAC(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22BrN/c1-13(15-8-10-19(20)11-9-15)21-14(2)17-7-6-16-4-3-5-18(16)12-17/h6-14,21H,3-5H2,1-2H3/t13-,14?/m1/s1
InChIKeyOISZXIARBNMBQT-KWCCSABGSA-N
MW344.30 g/mol
LogP5.35
Rot. Bonds4

About (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine

(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine (PubChem CID 81356166) has the molecular formula C19H22BrN and a molecular weight of 344.30 g/mol. Its IUPAC name is (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
PubChem CID81356166
Molecular FormulaC19H22BrN
Molecular Weight344.30 g/mol
Exact Mass343.09
IUPAC Name(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
SMILESCC(N[C@H](C)c1ccc(Br)cc1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22BrN/c1-13(15-8-10-19(20)11-9-15)21-14(2)17-7-6-16-4-3-5-18(16)12-17/h6-14,21H,3-5H2,1-2H3/t13-,14?/m1/s1
InChIKeyOISZXIARBNMBQT-KWCCSABGSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.30
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]benzamide
CID 133191869
(1S)-1-(4-bromophenyl)-N-[1-(4-bromophenyl)ethyl]ethanamine
CID 81353910
5-[bromo-(4-bromophenyl)methyl]-2,3-dihydro-1H-indene
CID 63439245
(1R)-1-cycloheptyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81391581
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
5-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-fluoroaniline
CID 43555233
4-bromo-2-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]aniline
CID 43347187
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
(1S)-1-cyclopentyl-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine
CID 81386200
2,5-dibromo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]aniline
CID 63446241
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
CID 81339451
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
The IUPAC name of (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine (CID 81356166) is (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
The canonical SMILES for (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine is CC(N[C@H](C)c1ccc(Br)cc1)c1ccc2c(c1)CCC2.
What is the InChIKey of (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
The InChIKey is OISZXIARBNMBQT-KWCCSABGSA-N. The full InChI is InChI=1S/C19H22BrN/c1-13(15-8-10-19(20)11-9-15)21-14(2)17-7-6-16-4-3-5-18(16)12-17/h6-14,21H,3-5H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine?
(1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine has a molecular weight of 344.30 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromophenyl)-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]ethanamine is sourced from PubChem (CID 81356166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).