N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline

C14H13Cl2FN2 — CID 55127157

IUPACN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H13Cl2FN2/c1-2-19(11-5-3-10(17)4-6-11)9-13-12(15)7-8-14(16)18-13/h3-8H,2,9H2,1H3
InChIKeyZIXNBOFWMNFANO-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.55
Rot. Bonds4

About N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline

N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline (PubChem CID 55127157) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
PubChem CID55127157
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC NameN-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline
SMILESCCN(Cc1nc(Cl)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H13Cl2FN2/c1-2-19(11-5-3-10(17)4-6-11)9-13-12(15)7-8-14(16)18-13/h3-8H,2,9H2,1H3
InChIKeyZIXNBOFWMNFANO-UHFFFAOYSA-N
XLogP4.55
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine
CID 62892014
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethylaniline
CID 62891798
N-[(3,6-dichloro-2-pyridinyl)methyl]-4-fluoro-N-methylaniline
CID 62891490
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-2-methylaniline
CID 63481554
N,N-diethyl-4-fluoroaniline
CID 592416
3,6-dichloro-N-ethyl-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 60659860
N-[(4-chloro-3-nitrophenyl)methyl]-N-ethyl-4-fluoroaniline
CID 63479877
6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-3-ol
CID 82981833
ethane;N-ethyl-4-fluoro-N-(phosphanylmethyl)aniline
CID 143503842
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62891299
5-[(3,4-dichloro-N-ethylanilino)methyl]-2H-triazole-4-carboxylic acid
CID 142618744
5-chloro-6-[(N-ethyl-2-methylanilino)methyl]pyridin-2-amine
CID 62891300

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline?
The IUPAC name of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline (CID 55127157) is N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline.
What is the SMILES notation for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline?
The canonical SMILES for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline is CCN(Cc1nc(Cl)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline?
The InChIKey is ZIXNBOFWMNFANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c1-2-19(11-5-3-10(17)4-6-11)9-13-12(15)7-8-14(16)18-13/h3-8H,2,9H2,1H3.
What are the key properties of N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline?
N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline has a molecular weight of 299.18 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dichloro-2-pyridinyl)methyl]-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 55127157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).