N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine

C14H22ClFN2 — CID 105383556

IUPACN-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
SMILESCCCCN(c1nccc(CCl)c1F)C(C)CC
InChIInChI=1S/C14H22ClFN2/c1-4-6-9-18(11(3)5-2)14-13(16)12(10-15)7-8-17-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyQQBDHTUYVUILQG-UHFFFAOYSA-N
MW272.80 g/mol
LogP4.36
Rot. Bonds7

About N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine

N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine (PubChem CID 105383556) has the molecular formula C14H22ClFN2 and a molecular weight of 272.80 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
PubChem CID105383556
Molecular FormulaC14H22ClFN2
Molecular Weight272.80 g/mol
Exact Mass272.15
IUPAC NameN-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine
SMILESCCCCN(c1nccc(CCl)c1F)C(C)CC
InChIInChI=1S/C14H22ClFN2/c1-4-6-9-18(11(3)5-2)14-13(16)12(10-15)7-8-17-14/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyQQBDHTUYVUILQG-UHFFFAOYSA-N
XLogP4.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-4-(chloromethyl)-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383553
N-butan-2-yl-N-butyl-3-fluoro-4-(methylaminomethyl)pyridin-2-amine
CID 105389718
N-butan-2-yl-N-butyl-4-(ethylaminomethyl)-3-fluoropyridin-2-amine
CID 105389714
N-butyl-4-(chloromethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105383645
4-(chloromethyl)-3-fluoro-N-methyl-N-propylpyridin-2-amine
CID 105383465
N-butan-2-yl-4-[(cyclopropylamino)methyl]-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105389566
N-butan-2-yl-N-butyl-3-(methylaminomethyl)pyridin-2-amine
CID 62287854
4-(chloromethyl)-N-ethyl-3-fluoro-N-(2-methoxyethyl)pyridin-2-amine
CID 105383537
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
CID 105383887
4-(chloromethyl)-N-cyclopropyl-N-ethyl-3-fluoropyridin-2-amine
CID 105383476
4-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylpyridin-2-amine
CID 105383600
2-[[4-(chloromethyl)-3-fluoro-2-pyridinyl]oxy]-N,N-dimethylethanamine
CID 105383808

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine?
The IUPAC name of N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine (CID 105383556) is N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine?
The canonical SMILES for N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine is CCCCN(c1nccc(CCl)c1F)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine?
The InChIKey is QQBDHTUYVUILQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClFN2/c1-4-6-9-18(11(3)5-2)14-13(16)12(10-15)7-8-17-14/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine?
N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine has a molecular weight of 272.80 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-(chloromethyl)-3-fluoropyridin-2-amine is sourced from PubChem (CID 105383556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).