1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine

C16H18F2N2O — CID 107520687

IUPAC1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(N(C)CC(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H18F2N2O/c1-20(12-4-6-13(21-2)7-5-12)10-16(19)11-3-8-14(17)15(18)9-11/h3-9,16H,10,19H2,1-2H3
InChIKeyCIENNPKMZNLKMK-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.11
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine

1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine (PubChem CID 107520687) has the molecular formula C16H18F2N2O and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
PubChem CID107520687
Molecular FormulaC16H18F2N2O
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine
SMILESCOc1ccc(N(C)CC(N)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H18F2N2O/c1-20(12-4-6-13(21-2)7-5-12)10-16(19)11-3-8-14(17)15(18)9-11/h3-9,16H,10,19H2,1-2H3
InChIKeyCIENNPKMZNLKMK-UHFFFAOYSA-N
XLogP3.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-difluorophenyl)-N'-(3-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520745
1-(3,4-difluorophenyl)-N'-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 107520674
1-(4-fluorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62644528
N-(2,2-dimethoxyethyl)-4-methoxy-N-methylaniline
CID 66224043
N'-cycloheptyl-1-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 107519801
1-(3-chlorophenyl)-N'-(4-methoxyphenyl)-N'-methylpropane-1,3-diamine
CID 62630981
1-(3,4-difluorophenyl)-N'-(2-ethoxyethyl)-N'-methylethane-1,2-diamine
CID 107521822
1-(4-methoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16782629
2-amino-2-(3,4-difluorophenyl)ethanol
CID 22048878
1-(3,4-difluorophenyl)-4-methylpentan-1-amine
CID 43210140
1-(4-fluorophenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 16792617
1-(3,4-difluorophenyl)-4-methoxybutan-1-amine
CID 62600679

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine (CID 107520687) is 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine is COc1ccc(N(C)CC(N)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is CIENNPKMZNLKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O/c1-20(12-4-6-13(21-2)7-5-12)10-16(19)11-3-8-14(17)15(18)9-11/h3-9,16H,10,19H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine?
1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 292.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N'-(4-methoxyphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 107520687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).