1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine

C16H17F2N — CID 43178590

IUPAC1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
SMILESCC(NCCc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N/c1-12(14-7-8-15(17)16(18)11-14)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,19H,9-10H2,1H3
InChIKeyOVHAPHNKAWNJMY-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.86
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine

1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine (PubChem CID 43178590) has the molecular formula C16H17F2N and a molecular weight of 261.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
PubChem CID43178590
Molecular FormulaC16H17F2N
Molecular Weight261.31 g/mol
Exact Mass261.13
IUPAC Name1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine
SMILESCC(NCCc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H17F2N/c1-12(14-7-8-15(17)16(18)11-14)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,19H,9-10H2,1H3
InChIKeyOVHAPHNKAWNJMY-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43565905
1-(3,4-difluorophenyl)-N-[2-(3,5-difluorophenyl)ethyl]ethanamine
CID 62604981
(1R)-1-(3-methylphenyl)-N-(2-phenylethyl)ethanamine
CID 81364217
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
N-[1-(3,4-difluorophenyl)ethyl]pentan-1-amine
CID 43177678
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-3-ethylsulfanylpropan-1-amine
CID 113350434
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
1-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43401433
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
N-(2-phenylethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694648
1-[1-(3,4-difluorophenyl)ethylamino]-3-phenylmethoxypropan-2-ol
CID 110877396

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine (CID 43178590) is 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine is CC(NCCc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine?
The InChIKey is OVHAPHNKAWNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-12(14-7-8-15(17)16(18)11-14)19-10-9-13-5-3-2-4-6-13/h2-8,11-12,19H,9-10H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine?
1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine has a molecular weight of 261.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 43178590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).