3-(difluoromethoxy)-N-heptan-4-ylaniline

C14H21F2NO — CID 43698946

IUPAC3-(difluoromethoxy)-N-heptan-4-ylaniline
SMILESCCCC(CCC)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C14H21F2NO/c1-3-6-11(7-4-2)17-12-8-5-9-13(10-12)18-14(15)16/h5,8-11,14,17H,3-4,6-7H2,1-2H3
InChIKeyZGWUXJYGRHECEY-UHFFFAOYSA-N
MW257.32 g/mol
LogP4.67
Rot. Bonds8

About 3-(difluoromethoxy)-N-heptan-4-ylaniline

3-(difluoromethoxy)-N-heptan-4-ylaniline (PubChem CID 43698946) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-heptan-4-ylaniline.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-heptan-4-ylaniline
PubChem CID43698946
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name3-(difluoromethoxy)-N-heptan-4-ylaniline
SMILESCCCC(CCC)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C14H21F2NO/c1-3-6-11(7-4-2)17-12-8-5-9-13(10-12)18-14(15)16/h5,8-11,14,17H,3-4,6-7H2,1-2H3
InChIKeyZGWUXJYGRHECEY-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(difluoromethoxy)aniline
CID 43699124
N-hexan-3-yl-3-methoxyaniline
CID 115916725
3-(difluoromethoxy)-N-hexylaniline
CID 43698714
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
2-(3-methoxyanilino)pentan-1-ol
CID 61050273
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
ethyl N-[3-(difluoromethoxy)phenyl]carbamate
CID 61062462
3-ethoxy-N-undecan-6-ylaniline
CID 63453491
3-(difluoromethoxy)-N-(2,2-dimethoxyethyl)aniline
CID 55233867
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
3-(difluoromethoxy)-N-[1-(1-methylpiperidin-4-yl)ethyl]aniline
CID 43698690
3-(difluoromethoxy)-N-(4-propylcyclohexyl)aniline
CID 43698673

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-heptan-4-ylaniline?
The IUPAC name of 3-(difluoromethoxy)-N-heptan-4-ylaniline (CID 43698946) is 3-(difluoromethoxy)-N-heptan-4-ylaniline.
What is the SMILES notation for 3-(difluoromethoxy)-N-heptan-4-ylaniline?
The canonical SMILES for 3-(difluoromethoxy)-N-heptan-4-ylaniline is CCCC(CCC)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-heptan-4-ylaniline?
The InChIKey is ZGWUXJYGRHECEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-3-6-11(7-4-2)17-12-8-5-9-13(10-12)18-14(15)16/h5,8-11,14,17H,3-4,6-7H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-heptan-4-ylaniline?
3-(difluoromethoxy)-N-heptan-4-ylaniline has a molecular weight of 257.32 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-heptan-4-ylaniline is sourced from PubChem (CID 43698946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).