2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine

C15H16F2N2O — CID 106259825

IUPAC2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
SMILESCOc1ccccc1CCNc1c(F)cc(N)cc1F
InChIInChI=1S/C15H16F2N2O/c1-20-14-5-3-2-4-10(14)6-7-19-15-12(16)8-11(18)9-13(15)17/h2-5,8-9,19H,6-7,18H2,1H3
InChIKeyKUQGLKLYNQWDRM-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.21
Rot. Bonds5

About 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine

2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine (PubChem CID 106259825) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
PubChem CID106259825
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
SMILESCOc1ccccc1CCNc1c(F)cc(N)cc1F
InChIInChI=1S/C15H16F2N2O/c1-20-14-5-3-2-4-10(14)6-7-19-15-12(16)8-11(18)9-13(15)17/h2-5,8-9,19H,6-7,18H2,1H3
InChIKeyKUQGLKLYNQWDRM-UHFFFAOYSA-N
XLogP3.21
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259828
2-chloro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine
CID 106259764
3-methoxy-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 106259906
N-[2-(2-methoxyphenyl)ethyl]naphthalen-2-amine
CID 106261920
1-N-[2-(2-methoxyphenyl)ethyl]-4-methylbenzene-1,2-diamine
CID 106259841
1-[2-(2-fluorophenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111340223
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropane-1,2-diamine
CID 115132209
N'-[2-(2-methoxyphenyl)ethyl]butane-1,4-diamine
CID 115201470
2-amino-5-[2-(2-methoxyphenyl)ethylamino]benzamide
CID 106262491
2-amino-3-fluoro-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 106260904
3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
CID 63183498

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
The IUPAC name of 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine (CID 106259825) is 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine.
What is the SMILES notation for 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
The canonical SMILES for 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine is COc1ccccc1CCNc1c(F)cc(N)cc1F.
What is the InChIKey of 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
The InChIKey is KUQGLKLYNQWDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-20-14-5-3-2-4-10(14)6-7-19-15-12(16)8-11(18)9-13(15)17/h2-5,8-9,19H,6-7,18H2,1H3.
What are the key properties of 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine?
2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine has a molecular weight of 278.30 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-N-[2-(2-methoxyphenyl)ethyl]benzene-1,4-diamine is sourced from PubChem (CID 106259825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).