4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

C16H15ClFNO — CID 102615215

IUPAC4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(OCc3cc(F)ccc3Cl)cccc21
InChIInChI=1S/C16H15ClFNO/c17-14-6-4-11(18)8-10(14)9-20-16-3-1-2-12-13(16)5-7-15(12)19/h1-4,6,8,15H,5,7,9,19H2
InChIKeyCVKUOSZZQVWIFG-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.00
Rot. Bonds3

About 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine

4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 102615215) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID102615215
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC Name4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
SMILESNC1CCc2c(OCc3cc(F)ccc3Cl)cccc21
InChIInChI=1S/C16H15ClFNO/c17-14-6-4-11(18)8-10(14)9-20-16-3-1-2-12-13(16)5-7-15(12)19/h1-4,6,8,15H,5,7,9,19H2
InChIKeyCVKUOSZZQVWIFG-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102616513
5-[(5-fluoro-2-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105370357
5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454214
3-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-2-fluorobenzonitrile
CID 107114252
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-fluorobenzonitrile
CID 63090985
4-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxymethyl]-3-methylbenzonitrile
CID 114479486
4-[(3-methoxyphenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 63091349
N-[[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 102615167
4-[(5-bromo-3-pyridinyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 104796302
1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
2-chloro-6-[(2-chloro-5-fluorophenyl)methoxy]benzonitrile
CID 102616082
potassium [2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 102616637

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine (CID 102615215) is 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is NC1CCc2c(OCc3cc(F)ccc3Cl)cccc21.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CVKUOSZZQVWIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c17-14-6-4-11(18)8-10(14)9-20-16-3-1-2-12-13(16)5-7-15(12)19/h1-4,6,8,15H,5,7,9,19H2.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine?
4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 291.75 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 102615215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).