N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

C16H15ClFNO — CID 79367032

IUPACN-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C16H15ClFNO/c1-20-12-5-2-10-3-6-15(13(10)9-12)19-16-7-4-11(18)8-14(16)17/h2,4-5,7-9,15,19H,3,6H2,1H3
InChIKeySDPXRLXDEGUDOA-UHFFFAOYSA-N
MW291.75 g/mol
LogP4.59
Rot. Bonds3

About N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79367032) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79367032
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(Nc1ccc(F)cc1Cl)CC2
InChIInChI=1S/C16H15ClFNO/c1-20-12-5-2-10-3-6-15(13(10)9-12)19-16-7-4-11(18)8-14(16)17/h2,4-5,7-9,15,19H,3,6H2,1H3
InChIKeySDPXRLXDEGUDOA-UHFFFAOYSA-N
XLogP4.59
TPSA21.26 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 ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370032
N-(2,6-dichloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 83078051
N-(2-chlorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366654
N-(3-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79367397
N-(5-bromo-2,4-difluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 102852883
N-[(2,5-difluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370217
6-methoxy-N-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 79370051
N-(2,5-dimethylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366302
N-[(4-fluorophenyl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366842
N-(2-fluoro-4-methylphenyl)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79233981
N-(2-bromo-5-methylphenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 82762030
2-methoxy-N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)pyridin-3-amine
CID 79366034

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79367032) is N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(Nc1ccc(F)cc1Cl)CC2.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SDPXRLXDEGUDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-20-12-5-2-10-3-6-15(13(10)9-12)19-16-7-4-11(18)8-14(16)17/h2,4-5,7-9,15,19H,3,6H2,1H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 291.75 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79367032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).