N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine

C13H12ClFN2 — CID 114052686

IUPACN-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
SMILESCC(Nc1ccc(F)nc1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClFN2/c1-9(10-3-2-4-11(14)7-10)17-12-5-6-13(15)16-8-12/h2-9,17H,1H3
InChIKeyCWGNCECHVARIEM-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine

N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine (PubChem CID 114052686) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
PubChem CID114052686
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine
SMILESCC(Nc1ccc(F)nc1)c1cccc(Cl)c1
InChIInChI=1S/C13H12ClFN2/c1-9(10-3-2-4-11(14)7-10)17-12-5-6-13(15)16-8-12/h2-9,17H,1H3
InChIKeyCWGNCECHVARIEM-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyrimidin-4-amine
CID 115416691
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838027
N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
CID 43539939
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903529
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
cis-(1S,3R)-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-(6-fluoro-3-pyridinyl)cyclopentan-1-amine
CID 86698384
4-bromo-N-[1-(3-chlorophenyl)ethyl]-3-methylaniline
CID 43105622

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine (CID 114052686) is N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine is CC(Nc1ccc(F)nc1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine?
The InChIKey is CWGNCECHVARIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(10-3-2-4-11(14)7-10)17-12-5-6-13(15)16-8-12/h2-9,17H,1H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine?
N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine has a molecular weight of 250.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-6-fluoropyridin-3-amine is sourced from PubChem (CID 114052686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).