1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine

C17H16F3N — CID 103302367

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1ccc2c(c1)CCC2)c1cc(F)c(F)cc1F
InChIInChI=1S/C17H16F3N/c1-21-17(13-8-15(19)16(20)9-14(13)18)12-6-5-10-3-2-4-11(10)7-12/h5-9,17,21H,2-4H2,1H3
InChIKeyPXVWUGKTALPGKH-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.90
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine

1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103302367) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
PubChem CID103302367
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
SMILESCNC(c1ccc2c(c1)CCC2)c1cc(F)c(F)cc1F
InChIInChI=1S/C17H16F3N/c1-21-17(13-8-15(19)16(20)9-14(13)18)12-6-5-10-3-2-4-11(10)7-12/h5-9,17,21H,2-4H2,1H3
InChIKeyPXVWUGKTALPGKH-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.90
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-(2,4-difluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 79725625
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214753
5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 103303651
1-(2,3-dihydro-1H-inden-5-yl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487646
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107998576
1-(3,5-dibromophenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 107979764
1-(2-bromo-4-chlorophenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 107987343
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453
1-(2-methoxyphenyl)-N-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43480670
[(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methyl]hydrazine
CID 105303372
1-bromo-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 116961881
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine (CID 103302367) is 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is CNC(c1ccc2c(c1)CCC2)c1cc(F)c(F)cc1F.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is PXVWUGKTALPGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-21-17(13-8-15(19)16(20)9-14(13)18)12-6-5-10-3-2-4-11(10)7-12/h5-9,17,21H,2-4H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine?
1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 291.32 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103302367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).