(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine

C16H15F2N — CID 65405327

IUPAC(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)C1CCc2ccccc21
InChIInChI=1S/C16H15F2N/c17-14-8-6-11(9-15(14)18)16(19)13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13,16H,5,7,19H2
InChIKeyBHRDPARXFIZFBV-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.69
Rot. Bonds2

About (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine

(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine (PubChem CID 65405327) has the molecular formula C16H15F2N and a molecular weight of 259.30 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
PubChem CID65405327
Molecular FormulaC16H15F2N
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
SMILESNC(c1ccc(F)c(F)c1)C1CCc2ccccc21
InChIInChI=1S/C16H15F2N/c17-14-8-6-11(9-15(14)18)16(19)13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13,16H,5,7,19H2
InChIKeyBHRDPARXFIZFBV-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine
CID 65403370
2,3-dihydro-1H-inden-1-yl-(2,3,4-trifluorophenyl)methanamine
CID 65406294
(3-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 63247325
2,3-dihydro-1H-inden-1-yl-(3-methoxyphenyl)methanamine
CID 65412498
2,3-dihydro-1H-inden-1-yl-(4-fluoro-2-methylphenyl)methanamine
CID 65406101
N-[1-(3,4-difluorophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 43204034
2,3-dihydro-1H-inden-1-yl-(4-ethoxyphenyl)methanamine
CID 65404742
(2-chloro-4,5-difluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 107476058
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
6-[amino(2,3-dihydro-1H-inden-1-yl)methyl]-2-methyl-4H-1,4-benzoxazin-3-amine;dihydrochloride
CID 22622974
2,3-dihydro-1H-inden-1-yl(thiophen-2-yl)methanamine
CID 65403962

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine (CID 65405327) is (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine is NC(c1ccc(F)c(F)c1)C1CCc2ccccc21.
What is the InChIKey of (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine?
The InChIKey is BHRDPARXFIZFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N/c17-14-8-6-11(9-15(14)18)16(19)13-7-5-10-3-1-2-4-12(10)13/h1-4,6,8-9,13,16H,5,7,19H2.
What are the key properties of (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine?
(3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine has a molecular weight of 259.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,3-dihydro-1H-inden-1-yl)methanamine is sourced from PubChem (CID 65405327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).