(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C17H17F2N — CID 79724772

IUPAC(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)CCC3)c(F)cc1F
InChIInChI=1S/C17H17F2N/c1-10-7-14(16(19)9-15(10)18)17(20)13-6-5-11-3-2-4-12(11)8-13/h5-9,17H,2-4,20H2,1H3
InChIKeyIDSRBWFGVICYKY-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.81
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 79724772) has the molecular formula C17H17F2N and a molecular weight of 273.33 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID79724772
Molecular FormulaC17H17F2N
Molecular Weight273.33 g/mol
Exact Mass273.13
IUPAC Name(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)CCC3)c(F)cc1F
InChIInChI=1S/C17H17F2N/c1-10-7-14(16(19)9-15(10)18)17(20)13-6-5-11-3-2-4-12(11)8-13/h5-9,17H,2-4,20H2,1H3
InChIKeyIDSRBWFGVICYKY-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
1-(2,4-difluoro-5-methylphenyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanamine
CID 79725625
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115569
2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
5-[chloro-(2,4,5-trifluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 103303651

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 79724772) is (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is Cc1cc(C(N)c2ccc3c(c2)CCC3)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is IDSRBWFGVICYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N/c1-10-7-14(16(19)9-15(10)18)17(20)13-6-5-11-3-2-4-12(11)8-13/h5-9,17H,2-4,20H2,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 273.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 79724772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).