N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

C14H16FN3O — CID 114937210

IUPACN-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cccc(F)c2)cn1
InChIInChI=1S/C14H16FN3O/c1-19-14-6-5-10(9-17-14)13(8-16)18-12-4-2-3-11(15)7-12/h2-7,9,13,18H,8,16H2,1H3
InChIKeyURYKKBWJBRHWJA-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.34
Rot. Bonds5

About N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (PubChem CID 114937210) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
PubChem CID114937210
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC NameN-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)Nc2cccc(F)c2)cn1
InChIInChI=1S/C14H16FN3O/c1-19-14-6-5-10(9-17-14)13(8-16)18-12-4-2-3-11(15)7-12/h2-7,9,13,18H,8,16H2,1H3
InChIKeyURYKKBWJBRHWJA-UHFFFAOYSA-N
XLogP2.34
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethane-1,2-diamine
CID 65385518
1-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383399
N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202
N-(2-bromo-5-methylphenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937262
N-(3-fluorophenyl)-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 103571920
1-(3-bromophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65382973
N-(3-bromophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 65378731
1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine
CID 114937199
1-(4-bromo-3-fluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 81437578
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
N-(3-fluorophenyl)-4-(6-methoxy-3-pyridinyl)pyrimidin-2-amine
CID 170970463
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoroaniline
CID 43194273

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (CID 114937210) is N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is COc1ccc(C(CN)Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is URYKKBWJBRHWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-19-14-6-5-10(9-17-14)13(8-16)18-12-4-2-3-11(15)7-12/h2-7,9,13,18H,8,16H2,1H3.
What are the key properties of N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 261.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114937210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).