2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine

C14H22F2N2O2 — CID 63734268

IUPAC2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H22F2N2O2/c1-19-8-3-6-18(7-9-20-2)13-5-4-11(17)10-12(13)14(15)16/h4-5,10,14H,3,6-9,17H2,1-2H3
InChIKeyKMDCEHIEYHCKND-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.70
Rot. Bonds9

About 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine

2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine (PubChem CID 63734268) has the molecular formula C14H22F2N2O2 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
PubChem CID63734268
Molecular FormulaC14H22F2N2O2
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
SMILESCOCCCN(CCOC)c1ccc(N)cc1C(F)F
InChIInChI=1S/C14H22F2N2O2/c1-19-8-3-6-18(7-9-20-2)13-5-4-11(17)10-12(13)14(15)16/h4-5,10,14H,3,6-9,17H2,1-2H3
InChIKeyKMDCEHIEYHCKND-UHFFFAOYSA-N
XLogP2.70
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-1-N,1-N-dipropylbenzene-1,4-diamine
CID 63749183
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-pentan-3-ylbenzene-1,4-diamine
CID 63734628
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(2-methoxyethyl)benzene-1,4-diamine
CID 63735637
2-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54989680
4-[(1S)-1-aminoethyl]-2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 78934764
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 55229077
2,6-difluoro-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 54985046
1-N-(3-methoxypropyl)-1-N,2-dimethylbenzene-1,4-diamine
CID 62985550
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
(1S)-1-[3-fluoro-4-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]ethanol
CID 78940410
2-fluoro-5-methoxy-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine
CID 107259012
5-[5-amino-2-[bis(2-methoxyethyl)amino]phenyl]benzene-1,3-diol
CID 18371496

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The IUPAC name of 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine (CID 63734268) is 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The canonical SMILES for 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine is COCCCN(CCOC)c1ccc(N)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
The InChIKey is KMDCEHIEYHCKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2/c1-19-8-3-6-18(7-9-20-2)13-5-4-11(17)10-12(13)14(15)16/h4-5,10,14H,3,6-9,17H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine?
2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine has a molecular weight of 288.34 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,4-diamine is sourced from PubChem (CID 63734268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).