N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine

C13H17F2N — CID 103512866

IUPACN-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine
SMILESCCNCC1(C(F)F)CCc2ccccc21
InChIInChI=1S/C13H17F2N/c1-2-16-9-13(12(14)15)8-7-10-5-3-4-6-11(10)13/h3-6,12,16H,2,7-9H2,1H3
InChIKeyCZPQNFIASGJXHF-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.75
Rot. Bonds4

About N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine

N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine (PubChem CID 103512866) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine
PubChem CID103512866
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC NameN-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine
SMILESCCNCC1(C(F)F)CCc2ccccc21
InChIInChI=1S/C13H17F2N/c1-2-16-9-13(12(14)15)8-7-10-5-3-4-6-11(10)13/h3-6,12,16H,2,7-9H2,1H3
InChIKeyCZPQNFIASGJXHF-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-propan-2-yl-2,3-dihydroinden-1-yl)methanol
CID 146230442
2-(ethylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 62775085
2-methoxy-N-[(1-pentan-2-yl-3,4-dihydro-2H-naphthalen-1-yl)methyl]ethanamine
CID 107897420
1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 62772754
N-[(8-chloro-1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)methyl]ethanamine
CID 163832084
[1-(ethylamino)-2,3-dihydroinden-1-yl]methanol
CID 61050687
bicyclo[4.1.0]hepta-1,3,5-triene;N-ethylethanamine
CID 175235402
1-(2-ethylbutyl)-2,3-dihydroinden-1-amine
CID 82919598
1-(ethylaminomethyl)-4-fluoro-2,3-dihydroinden-1-ol
CID 83070139
[1-(aminomethyl)-2,3-dihydroinden-1-yl]-(3,4-difluorophenyl)methanol
CID 79123645
5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 80604311
3,3-di(propan-2-yl)-1,2-dihydroindene
CID 22952112

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine (CID 103512866) is N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine is CCNCC1(C(F)F)CCc2ccccc21.
What is the InChIKey of N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine?
The InChIKey is CZPQNFIASGJXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-2-16-9-13(12(14)15)8-7-10-5-3-4-6-11(10)13/h3-6,12,16H,2,7-9H2,1H3.
What are the key properties of N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine?
N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine has a molecular weight of 225.28 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)-2,3-dihydroinden-1-yl]methyl]ethanamine is sourced from PubChem (CID 103512866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).