4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline

C16H16BrNO — CID 103008604

IUPAC4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
SMILESNc1ccc(Br)c(OCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H16BrNO/c17-15-7-6-14(18)9-16(15)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,18H2
InChIKeyBOZXZUVRAUSZAO-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.10
Rot. Bonds3

About 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline

4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline (PubChem CID 103008604) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline.

Molecular Properties

Compound Name4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
PubChem CID103008604
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline
SMILESNc1ccc(Br)c(OCc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C16H16BrNO/c17-15-7-6-14(18)9-16(15)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,18H2
InChIKeyBOZXZUVRAUSZAO-UHFFFAOYSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
CID 106956274
4-bromo-3-[(4-tert-butylphenyl)methoxy]aniline
CID 103009139
5-[(2-bromo-4-methoxyphenoxy)methyl]-2,3-dihydro-1H-indene
CID 104707269
4-bromo-3-[(3-fluorophenyl)methoxy]aniline
CID 103008828
4-bromo-3-[[3-(trifluoromethyl)phenyl]methoxy]aniline
CID 103009232
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337
6-bromo-2,3-dihydro-1H-inden-5-amine;2,3-dihydro-1H-inden-5-amine
CID 157097766
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
4-bromo-3-ethoxyaniline
CID 7015503
4-bromo-3-(ethoxymethoxy)aniline
CID 103009022
2-bromo-5-[(2,5-dibromo-4-methoxyphenoxy)methyl]aniline
CID 115557562
2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
CID 81315987

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline?
The IUPAC name of 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline (CID 103008604) is 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline.
What is the SMILES notation for 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline?
The canonical SMILES for 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline is Nc1ccc(Br)c(OCc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline?
The InChIKey is BOZXZUVRAUSZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-15-7-6-14(18)9-16(15)19-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,18H2.
What are the key properties of 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline?
4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline has a molecular weight of 318.21 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,3-dihydro-1H-inden-5-ylmethoxy)aniline is sourced from PubChem (CID 103008604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).