(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

C12H13F2NO — CID 102647123

IUPAC(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO/c13-9-5-4-8(7-10(9)14)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2
InChIKeySKXGVGRTSGAJIN-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.66
Rot. Bonds2

About (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine

(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (PubChem CID 102647123) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
PubChem CID102647123
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
SMILESNC(C1=CCCCO1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H13F2NO/c13-9-5-4-8(7-10(9)14)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2
InChIKeySKXGVGRTSGAJIN-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine 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

(4-bromo-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648870
[(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]hydrazine
CID 102649888
(2,5-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648980
[3,4-dihydro-2H-pyran-6-yl-(4-fluoro-3-methylphenyl)methyl]hydrazine
CID 102649912
(2-chlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647320
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(3-bromothiophen-2-yl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102648987
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(3,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 62515674
2,3-dihydrofuran-5-yl-(3,5-dimethylphenyl)methanamine
CID 102653132
3,4-dihydro-2H-pyran-6-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 102648928
(3-chloro-2-pyridinyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 103443841

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine (CID 102647123) is (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is NC(C1=CCCCO1)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
The InChIKey is SKXGVGRTSGAJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-5-4-8(7-10(9)14)12(15)11-3-1-2-6-16-11/h3-5,7,12H,1-2,6,15H2.
What are the key properties of (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine?
(3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine has a molecular weight of 225.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanamine is sourced from PubChem (CID 102647123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).