4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline

C16H15BrClN — CID 107619769

IUPAC4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
SMILESClc1cc(NCc2ccc3c(c2)CCC3)ccc1Br
InChIInChI=1S/C16H15BrClN/c17-15-7-6-14(9-16(15)18)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9,19H,1-3,10H2
InChIKeyAXMJZWWOKBRJAR-UHFFFAOYSA-N
MW336.66 g/mol
LogP5.20
Rot. Bonds3

About 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline

4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline (PubChem CID 107619769) has the molecular formula C16H15BrClN and a molecular weight of 336.66 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
PubChem CID107619769
Molecular FormulaC16H15BrClN
Molecular Weight336.66 g/mol
Exact Mass335.01
IUPAC Name4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
SMILESClc1cc(NCc2ccc3c(c2)CCC3)ccc1Br
InChIInChI=1S/C16H15BrClN/c17-15-7-6-14(9-16(15)18)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9,19H,1-3,10H2
InChIKeyAXMJZWWOKBRJAR-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.66
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-chloro-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 107619336
2-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylamino)benzonitrile
CID 63939427
2-bromo-5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline
CID 81280104
4-bromo-3-chloro-N-(1H-indol-6-ylmethyl)aniline
CID 107619291
N-[(4-chloro-3-nitrophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 115281341
4-fluoro-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)aniline
CID 82132113
4-bromo-3-chloro-N-(1H-indol-5-ylmethyl)aniline
CID 107619194
4-bromo-3-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]aniline
CID 107619278
N-[[4-(methylamino)phenyl]methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115212622
N-[(4-cyclopropylphenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79968934
4-[(2,3-dihydro-1H-inden-5-ylamino)methyl]-2-fluorophenol
CID 107685267
N-[(3-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-amine
CID 79710387

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
The IUPAC name of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline (CID 107619769) is 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
The canonical SMILES for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline is Clc1cc(NCc2ccc3c(c2)CCC3)ccc1Br.
What is the InChIKey of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
The InChIKey is AXMJZWWOKBRJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClN/c17-15-7-6-14(9-16(15)18)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9,19H,1-3,10H2.
What are the key properties of 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline?
4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline has a molecular weight of 336.66 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)aniline is sourced from PubChem (CID 107619769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).