1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine

C17H16ClF2N — CID 107476284

IUPAC1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)c(F)cc1Cl)C1Cc2ccccc2C1
InChIInChI=1S/C17H16ClF2N/c1-21-17(13-8-15(19)16(20)9-14(13)18)12-6-10-4-2-3-5-11(10)7-12/h2-5,8-9,12,17,21H,6-7H2,1H3
InChIKeyJTHOOBHXGZIKNN-UHFFFAOYSA-N
MW307.77 g/mol
LogP4.29
Rot. Bonds3

About 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine

1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine (PubChem CID 107476284) has the molecular formula C17H16ClF2N and a molecular weight of 307.77 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
PubChem CID107476284
Molecular FormulaC17H16ClF2N
Molecular Weight307.77 g/mol
Exact Mass307.09
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
SMILESCNC(c1cc(F)c(F)cc1Cl)C1Cc2ccccc2C1
InChIInChI=1S/C17H16ClF2N/c1-21-17(13-8-15(19)16(20)9-14(13)18)12-6-10-4-2-3-5-11(10)7-12/h2-5,8-9,12,17,21H,6-7H2,1H3
InChIKeyJTHOOBHXGZIKNN-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-fluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892796
2-[chloro-(2-chloro-4,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 107477400
1-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 65411306
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 107476202
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclopropyl-N-methylmethanamine
CID 81045986
1-(2,3-dihydro-1H-inden-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 65410726
1-(2-chloro-4-fluoro-5-methylphenyl)-1-cyclobutyl-N-methylmethanamine
CID 81045832
1-(2,3-dihydro-1H-inden-2-yl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79703756
1-(4-bromo-2,5-dimethylphenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine
CID 106892754
1-(2-chloro-4,5-difluorophenyl)-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 107476133
1-(3,4-dihydro-2H-chromen-3-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 65411667
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine (CID 107476284) is 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine is CNC(c1cc(F)c(F)cc1Cl)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
The InChIKey is JTHOOBHXGZIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N/c1-21-17(13-8-15(19)16(20)9-14(13)18)12-6-10-4-2-3-5-11(10)7-12/h2-5,8-9,12,17,21H,6-7H2,1H3.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine?
1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine has a molecular weight of 307.77 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-methylmethanamine is sourced from PubChem (CID 107476284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).