N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine

C14H15F2N3 — CID 112676261

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine
SMILESCCN(Cc1cccc(N)c1)c1ncc(F)cc1F
InChIInChI=1S/C14H15F2N3/c1-2-19(9-10-4-3-5-12(17)6-10)14-13(16)7-11(15)8-18-14/h3-8H,2,9,17H2,1H3
InChIKeyDOYWSVVBHNFCFH-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.97
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine

N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine (PubChem CID 112676261) has the molecular formula C14H15F2N3 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine
PubChem CID112676261
Molecular FormulaC14H15F2N3
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine
SMILESCCN(Cc1cccc(N)c1)c1ncc(F)cc1F
InChIInChI=1S/C14H15F2N3/c1-2-19(9-10-4-3-5-12(17)6-10)14-13(16)7-11(15)8-18-14/h3-8H,2,9,17H2,1H3
InChIKeyDOYWSVVBHNFCFH-UHFFFAOYSA-N
XLogP2.97
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79718732
3-[(4-chloro-N-ethylanilino)methyl]aniline
CID 143248612
3-[[(2,4-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 62196361
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
3-[[(2,6-difluorophenyl)methyl-ethylamino]methyl]aniline
CID 115776980
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
CID 62734371
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
CID 66320787
4-[(3-aminophenyl)methyl-ethylamino]-1H-pyrimidin-6-one
CID 136979201
3-N-[(3-chloro-4-fluorophenyl)methyl]-3-N-ethylbenzene-1,3-diamine
CID 103038313

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine (CID 112676261) is N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine is CCN(Cc1cccc(N)c1)c1ncc(F)cc1F.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine?
The InChIKey is DOYWSVVBHNFCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3/c1-2-19(9-10-4-3-5-12(17)6-10)14-13(16)7-11(15)8-18-14/h3-8H,2,9,17H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine?
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine has a molecular weight of 263.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine is sourced from PubChem (CID 112676261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).