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

C17H17ClFNO — CID 107683254

IUPAC5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C17H17ClFNO/c1-20-17-7-3-11-8-14(5-6-15(11)17)21-10-12-2-4-13(19)9-16(12)18/h2,4-6,8-9,17,20H,3,7,10H2,1H3
InChIKeyRSTOPWDMOJBXPC-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.26
Rot. Bonds4

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

5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 107683254) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID107683254
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2cc(OCc3ccc(F)cc3Cl)ccc21
InChIInChI=1S/C17H17ClFNO/c1-20-17-7-3-11-8-14(5-6-15(11)17)21-10-12-2-4-13(19)9-16(12)18/h2,4-6,8-9,17,20H,3,7,10H2,1H3
InChIKeyRSTOPWDMOJBXPC-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-chloro-2-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683270
5-[(2,3-difluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683246
3-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxymethyl]pyridine-2-carbonitrile
CID 107683551
N-methyl-5-(2-methylpropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683424
N-methyl-5-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683362
N-methyl-5-(3,3,3-trifluoropropoxy)-2,3-dihydro-1H-inden-1-amine
CID 107683376
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 107683060
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684090
5-[(2,4-difluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 107684733
6-[(2-bromophenyl)methoxy]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63499231
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
5-[[1-(methylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pentan-1-ol
CID 107683313

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 107683254) is 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1CCc2cc(OCc3ccc(F)cc3Cl)ccc21.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RSTOPWDMOJBXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-20-17-7-3-11-8-14(5-6-15(11)17)21-10-12-2-4-13(19)9-16(12)18/h2,4-6,8-9,17,20H,3,7,10H2,1H3.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 305.78 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 107683254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).