(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C16H15F2N — CID 43115569

IUPAC(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C16H15F2N/c17-13-5-2-6-14(18)15(13)16(19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,16H,1,3-4,19H2
InChIKeyMBXURDAPWKWNDO-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.50
Rot. Bonds2

About (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 43115569) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID43115569
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESNC(c1ccc2c(c1)CCC2)c1c(F)cccc1F
InChIInChI=1S/C16H15F2N/c17-13-5-2-6-14(18)15(13)16(19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,16H,1,3-4,19H2
InChIKeyMBXURDAPWKWNDO-UHFFFAOYSA-N
XLogP3.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(2,4,6-trifluorophenyl)methanamine
CID 43198708
2,3-dihydro-1H-inden-5-yl-(2-fluorophenyl)methanamine
CID 43115579
(2-chloro-3-fluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 81454834
(2,4-difluoro-5-methylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 79724772
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2,3-dihydro-1H-inden-5-yl-(2-fluoro-6-methoxyphenyl)methanol
CID 65434633
6-[bromo-(2-chloro-6-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63439442
2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
CID 105018656
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
(2-bromophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115600

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 43115569) is (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is NC(c1ccc2c(c1)CCC2)c1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is MBXURDAPWKWNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-13-5-2-6-14(18)15(13)16(19)12-8-7-10-3-1-4-11(10)9-12/h2,5-9,16H,1,3-4,19H2.
What are the key properties of (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 259.30 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 43115569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).