1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine

C14H22F2N2O3 — CID 62542549

IUPAC1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCOc1cc(C(CN)NCCOC)ccc1OC(F)F
InChIInChI=1S/C14H22F2N2O3/c1-3-20-13-8-10(4-5-12(13)21-14(15)16)11(9-17)18-6-7-19-2/h4-5,8,11,14,18H,3,6-7,9,17H2,1-2H3
InChIKeyMGPILGRMQQPETP-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.92
Rot. Bonds10

About 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine

1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62542549) has the molecular formula C14H22F2N2O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62542549
Molecular FormulaC14H22F2N2O3
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCCOc1cc(C(CN)NCCOC)ccc1OC(F)F
InChIInChI=1S/C14H22F2N2O3/c1-3-20-13-8-10(4-5-12(13)21-14(15)16)11(9-17)18-6-7-19-2/h4-5,8,11,14,18H,3,6-7,9,17H2,1-2H3
InChIKeyMGPILGRMQQPETP-UHFFFAOYSA-N
XLogP1.92
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-ynyl-1-[4-(difluoromethoxy)-3-ethoxyphenyl]ethane-1,2-diamine
CID 116641197
N-but-3-yn-2-yl-1-[4-(difluoromethoxy)-3-ethoxyphenyl]ethane-1,2-diamine
CID 114416097
methyl 2-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoate
CID 141081328
methyl 4-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoate
CID 66097877
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660
N-(2-methoxyethyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 62542209
4-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]butanoic acid
CID 66097892
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methylprop-2-en-1-ol
CID 79190781
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
[4-(difluoromethoxy)-3-ethoxyphenyl]-pyridin-3-ylmethanamine
CID 68547360
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
[1-(aminomethyl)cyclobutyl]-[4-(difluoromethoxy)-3-ethoxyphenyl]methanol
CID 79126174

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine (CID 62542549) is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine is CCOc1cc(C(CN)NCCOC)ccc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is MGPILGRMQQPETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O3/c1-3-20-13-8-10(4-5-12(13)21-14(15)16)11(9-17)18-6-7-19-2/h4-5,8,11,14,18H,3,6-7,9,17H2,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine?
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 304.34 g/mol, XLogP of 1.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62542549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).