1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine

C14H15F2NO — CID 63000728

IUPAC1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1ccoc1
InChIInChI=1S/C14H15F2NO/c1-10(17-8-11-5-6-18-9-11)7-12-13(15)3-2-4-14(12)16/h2-6,9-10,17H,7-8H2,1H3
InChIKeyDUQRVEPSWSZLMV-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.28
Rot. Bonds5

About 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine

1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine (PubChem CID 63000728) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
PubChem CID63000728
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine
SMILESCC(Cc1c(F)cccc1F)NCc1ccoc1
InChIInChI=1S/C14H15F2NO/c1-10(17-8-11-5-6-18-9-11)7-12-13(15)3-2-4-14(12)16/h2-6,9-10,17H,7-8H2,1H3
InChIKeyDUQRVEPSWSZLMV-UHFFFAOYSA-N
XLogP3.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]phenol
CID 60943467
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853
3-[[[(2S)-1-(2,6-difluorophenyl)propan-2-yl]amino]methyl]phenol
CID 93362092
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
1-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 54864314
N-[(4-bromo-3-fluorophenyl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 81432181
N-(furan-3-ylmethyl)-5-methylhexan-2-amine
CID 62997685
N-(furan-3-ylmethyl)-1-(4-methoxyphenyl)propan-2-amine
CID 115711421
N-[(5-bromothiophen-3-yl)methyl]-1-(2,6-difluorophenyl)propan-2-amine
CID 54864200
3-[[1-(2,6-difluorophenyl)propan-2-ylamino]methyl]benzonitrile
CID 60942834
N-[(2,6-difluorophenyl)methyl]-1-phenylpropan-2-amine
CID 63010379
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine (CID 63000728) is 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine is CC(Cc1c(F)cccc1F)NCc1ccoc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine?
The InChIKey is DUQRVEPSWSZLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-10(17-8-11-5-6-18-9-11)7-12-13(15)3-2-4-14(12)16/h2-6,9-10,17H,7-8H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine?
1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(furan-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 63000728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).