1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

C14H17F2NO — CID 62065619

IUPAC1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESCC(NCC1CCC=CO1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO/c1-10(11-5-6-13(15)14(16)8-11)17-9-12-4-2-3-7-18-12/h3,5-8,10,12,17H,2,4,9H2,1H3
InChIKeyKHITYVKTNACTGW-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.31
Rot. Bonds4

About 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine

1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (PubChem CID 62065619) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
PubChem CID62065619
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine
SMILESCC(NCC1CCC=CO1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H17F2NO/c1-10(11-5-6-13(15)14(16)8-11)17-9-12-4-2-3-7-18-12/h3,5-8,10,12,17H,2,4,9H2,1H3
InChIKeyKHITYVKTNACTGW-UHFFFAOYSA-N
XLogP3.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)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

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 62064923
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81370528
4-[1-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]benzonitrile
CID 55030449
(1R)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81376644
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62064372
1-(3,4-difluorophenyl)-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 54907301
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(2,4-dimethylphenyl)ethanamine
CID 62065092
1-(3,4-difluorophenyl)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 55192396
N-[(3,4-difluorophenyl)methyl]-1-(3,4-dihydro-2H-pyran-2-yl)methanamine
CID 55030837
1-(3,4-difluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013117
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine (CID 62065619) is 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is CC(NCC1CCC=CO1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
The InChIKey is KHITYVKTNACTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10(11-5-6-13(15)14(16)8-11)17-9-12-4-2-3-7-18-12/h3,5-8,10,12,17H,2,4,9H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine?
1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine has a molecular weight of 253.29 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(3,4-dihydro-2H-pyran-2-ylmethyl)ethanamine is sourced from PubChem (CID 62065619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).