3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine

C15H16F2N2O — CID 107845304

IUPAC3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
SMILESCOc1cccc(CCNc2c(N)ccc(F)c2F)c1
InChIInChI=1S/C15H16F2N2O/c1-20-11-4-2-3-10(9-11)7-8-19-15-13(18)6-5-12(16)14(15)17/h2-6,9,19H,7-8,18H2,1H3
InChIKeyPCUROSVGQVHALK-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.21
Rot. Bonds5

About 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine

3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine (PubChem CID 107845304) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
PubChem CID107845304
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
SMILESCOc1cccc(CCNc2c(N)ccc(F)c2F)c1
InChIInChI=1S/C15H16F2N2O/c1-20-11-4-2-3-10(9-11)7-8-19-15-13(18)6-5-12(16)14(15)17/h2-6,9,19H,7-8,18H2,1H3
InChIKeyPCUROSVGQVHALK-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

3,4-difluoro-2-N-[(3-methoxyphenyl)methyl]benzene-1,2-diamine
CID 62533179
2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine
CID 107844845
3-N-[2-(3-methoxyphenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 107844867
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
3,4-difluoro-2-N-(2-pyridin-4-ylethyl)benzene-1,2-diamine
CID 62531809
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
3-fluoro-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115125852
3,4-difluoro-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 55086262
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
3-(6-amino-2,3-difluoroanilino)propan-1-ol
CID 62532991
4-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 107855538

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine (CID 107845304) is 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine is COc1cccc(CCNc2c(N)ccc(F)c2F)c1.
What is the InChIKey of 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine?
The InChIKey is PCUROSVGQVHALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-20-11-4-2-3-10(9-11)7-8-19-15-13(18)6-5-12(16)14(15)17/h2-6,9,19H,7-8,18H2,1H3.
What are the key properties of 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine?
3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-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 3,4-difluoro-2-N-[2-(3-methoxyphenyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 107845304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).