5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine

C12H16ClFN2 — CID 107400753

IUPAC5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
SMILESCCN(CC1CCC1)c1ncc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2/c1-2-16(8-9-4-3-5-9)12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3
InChIKeyBZBLBCROQOXQKS-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.50
Rot. Bonds4

About 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine

5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine (PubChem CID 107400753) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
PubChem CID107400753
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
SMILESCCN(CC1CCC1)c1ncc(Cl)cc1F
InChIInChI=1S/C12H16ClFN2/c1-2-16(8-9-4-3-5-9)12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3
InChIKeyBZBLBCROQOXQKS-UHFFFAOYSA-N
XLogP3.50
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N,N-bis(cyclopropylmethyl)-3-fluoropyridin-2-amine
CID 79727186
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
5-chloro-3-fluoro-N-(piperidin-3-ylmethyl)-N-propylpyridin-2-amine
CID 106644246
5-chloro-N-(cyclopropylmethyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727577
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-3-fluoropyridin-2-amine
CID 79727699
5-chloro-N-ethyl-3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 79727979
N'-(5-chloro-3-fluoro-2-pyridinyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79727656
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727276
1-N-(cyclobutylmethyl)-1-N-ethyl-2,6-difluorobenzene-1,4-diamine
CID 107397225
3-chloro-N-(cyclopropylmethyl)-N-ethylpyrazin-2-amine
CID 63956678

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine (CID 107400753) is 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine is CCN(CC1CCC1)c1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine?
The InChIKey is BZBLBCROQOXQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-2-16(8-9-4-3-5-9)12-11(14)6-10(13)7-15-12/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine?
5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine has a molecular weight of 242.72 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine is sourced from PubChem (CID 107400753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).