1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol

C16H16BrNO — CID 61401434

IUPAC1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c17-12-4-1-3-11(9-12)10-18-15-8-7-14-13(15)5-2-6-16(14)19/h1-6,9,15,18-19H,7-8,10H2
InChIKeySSCFKHMBIJOFPQ-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.93
Rot. Bonds3

About 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol

1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 61401434) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
PubChem CID61401434
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2NCc1cccc(Br)c1
InChIInChI=1S/C16H16BrNO/c17-12-4-1-3-11(9-12)10-18-15-8-7-14-13(15)5-2-6-16(14)19/h1-6,9,15,18-19H,7-8,10H2
InChIKeySSCFKHMBIJOFPQ-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 61401280
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 54900064
1-N-[(3-bromophenyl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79741671
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
[3-[[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenyl]methanol
CID 103781789
4-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123661
2-[4-[(3-bromophenyl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752493
(5R)-5-(pyrimidin-5-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 124623409
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 119123653
2-[[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]methyl]phenol
CID 115603168
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 43637173

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol (CID 61401434) is 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2NCc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is SSCFKHMBIJOFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-12-4-1-3-11(9-12)10-18-15-8-7-14-13(15)5-2-6-16(14)19/h1-6,9,15,18-19H,7-8,10H2.
What are the key properties of 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol?
1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 318.21 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 61401434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).