N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C14H16FN3 — CID 28771525

IUPACN'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3/c15-13-4-1-5-14(9-13)18(8-6-16)11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11,16H2
InChIKeyWVFFWGZXVZSFQZ-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.19
Rot. Bonds5

About N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 28771525) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID28771525
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1cccnc1)c1cccc(F)c1
InChIInChI=1S/C14H16FN3/c15-13-4-1-5-14(9-13)18(8-6-16)11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11,16H2
InChIKeyWVFFWGZXVZSFQZ-UHFFFAOYSA-N
XLogP2.19
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28772199
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 43132705
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
1,1-diethyl-3-(3-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360744
N'-(3-fluorophenyl)-N'-[(3-methoxyphenyl)methyl]propane-1,3-diamine
CID 28770717
3-(2-aminoethyl)-5-fluoro-N-methyl-N-(pyridin-3-ylmethyl)aniline
CID 106532278
N'-[(3,5-dimethylphenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 63487332
N-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylacetamide
CID 71916629
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N-[(3-fluorophenyl)methyl]-N-(pyridin-3-ylmethyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 17338529
N-(3-fluorophenyl)-3,5-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-4-sulfonamide
CID 110360783

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 28771525) is N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is NCCN(Cc1cccnc1)c1cccc(F)c1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is WVFFWGZXVZSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c15-13-4-1-5-14(9-13)18(8-6-16)11-12-3-2-7-17-10-12/h1-5,7,9-10H,6,8,11,16H2.
What are the key properties of N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 245.30 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 28771525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).