N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine

C15H16ClFN2 — CID 105383463

IUPACN-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
SMILESCCN(Cc1ccccc1)c1nccc(CCl)c1F
InChIInChI=1S/C15H16ClFN2/c1-2-19(11-12-6-4-3-5-7-12)15-14(17)13(10-16)8-9-18-15/h3-9H,2,10-11H2,1H3
InChIKeyGPNQFNJJFJXRPB-UHFFFAOYSA-N
MW278.76 g/mol
LogP3.99
Rot. Bonds5

About N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine

N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine (PubChem CID 105383463) has the molecular formula C15H16ClFN2 and a molecular weight of 278.76 g/mol. Its IUPAC name is N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
PubChem CID105383463
Molecular FormulaC15H16ClFN2
Molecular Weight278.76 g/mol
Exact Mass278.10
IUPAC NameN-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine
SMILESCCN(Cc1ccccc1)c1nccc(CCl)c1F
InChIInChI=1S/C15H16ClFN2/c1-2-19(11-12-6-4-3-5-7-12)15-14(17)13(10-16)8-9-18-15/h3-9H,2,10-11H2,1H3
InChIKeyGPNQFNJJFJXRPB-UHFFFAOYSA-N
XLogP3.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-ethyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105388950
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537
N-butyl-4-(chloromethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105383645
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
4-(chloromethyl)-3-fluoro-N-(2-fluorophenyl)-N-methylpyridin-2-amine
CID 105383580
3-(aminomethyl)-N-benzyl-N-ethylpyrazin-2-amine
CID 62672158
N-benzyl-3-fluoro-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 105388812
N-ethyl-3-fluoro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)pyridin-2-amine
CID 105389589
N,N-diethyl-3-fluoro-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 105388745
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
CID 105383556
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine?
The IUPAC name of N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine (CID 105383463) is N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine.
What is the SMILES notation for N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine?
The canonical SMILES for N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine is CCN(Cc1ccccc1)c1nccc(CCl)c1F.
What is the InChIKey of N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine?
The InChIKey is GPNQFNJJFJXRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2/c1-2-19(11-12-6-4-3-5-7-12)15-14(17)13(10-16)8-9-18-15/h3-9H,2,10-11H2,1H3.
What are the key properties of N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine?
N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine has a molecular weight of 278.76 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(chloromethyl)-N-ethyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 105383463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).