3-(difluoromethoxy)-N-(2-phenylethyl)aniline

C15H15F2NO — CID 43698801

IUPAC3-(difluoromethoxy)-N-(2-phenylethyl)aniline
SMILESFC(F)Oc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C15H15F2NO/c16-15(17)19-14-8-4-7-13(11-14)18-10-9-12-5-2-1-3-6-12/h1-8,11,15,18H,9-10H2
InChIKeyUHWIZZOORJQZQR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.94
Rot. Bonds6

About 3-(difluoromethoxy)-N-(2-phenylethyl)aniline

3-(difluoromethoxy)-N-(2-phenylethyl)aniline (PubChem CID 43698801) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-phenylethyl)aniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-phenylethyl)aniline
PubChem CID43698801
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3-(difluoromethoxy)-N-(2-phenylethyl)aniline
SMILESFC(F)Oc1cccc(NCCc2ccccc2)c1
InChIInChI=1S/C15H15F2NO/c16-15(17)19-14-8-4-7-13(11-14)18-10-9-12-5-2-1-3-6-12/h1-8,11,15,18H,9-10H2
InChIKeyUHWIZZOORJQZQR-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-phenylethyl)aniline
CID 13391245
N-butyl-3-(difluoromethoxy)aniline
CID 43699124
2-[3-(2-phenylethylamino)phenoxy]acetamide
CID 43720190
3-(3-methylbutoxy)-N-(2-phenylethyl)aniline
CID 54800482
3-[[3-(difluoromethoxy)anilino]methyl]phenol
CID 43698912
N-[(3-bromophenyl)methyl]-3-(difluoromethoxy)aniline
CID 43698745
3-butan-2-yloxy-N-(3-phenylpropyl)aniline
CID 54802732
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
N-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yloxyaniline
CID 54802782
N'-(3-methoxyphenyl)-N-(2-phenylethyl)ethane-1,2-diamine
CID 54806868
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
CID 55233867

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-phenylethyl)aniline?
The IUPAC name of 3-(difluoromethoxy)-N-(2-phenylethyl)aniline (CID 43698801) is 3-(difluoromethoxy)-N-(2-phenylethyl)aniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-phenylethyl)aniline?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-phenylethyl)aniline is FC(F)Oc1cccc(NCCc2ccccc2)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-phenylethyl)aniline?
The InChIKey is UHWIZZOORJQZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-15(17)19-14-8-4-7-13(11-14)18-10-9-12-5-2-1-3-6-12/h1-8,11,15,18H,9-10H2.
What are the key properties of 3-(difluoromethoxy)-N-(2-phenylethyl)aniline?
3-(difluoromethoxy)-N-(2-phenylethyl)aniline has a molecular weight of 263.29 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-phenylethyl)aniline is sourced from PubChem (CID 43698801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).