3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine

C12H16BrClN2 — CID 107400758

IUPAC3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2/c1-2-16(8-9-4-3-5-9)12-11(13)6-10(14)7-15-12/h6-7,9H,2-5,8H2,1H3
InChIKeyCPWMPIZFZUOMTI-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.12
Rot. Bonds4

About 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine

3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine (PubChem CID 107400758) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
PubChem CID107400758
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2/c1-2-16(8-9-4-3-5-9)12-11(13)6-10(14)7-15-12/h6-7,9H,2-5,8H2,1H3
InChIKeyCPWMPIZFZUOMTI-UHFFFAOYSA-N
XLogP4.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 107400753
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 114836813
5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400761
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 114836828
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400762
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 143494116
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
2-[(3-bromo-5-chloro-2-pyridinyl)-ethylamino]acetamide
CID 103103965
N-(cyclobutylmethyl)-N-ethyl-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 107399895
3-bromo-5-chloro-N-cyclopentyl-N-(2-methylpropyl)pyridin-2-amine
CID 114837268

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine (CID 107400758) is 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine is CCN(CC1CCC1)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is CPWMPIZFZUOMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-2-16(8-9-4-3-5-9)12-11(13)6-10(14)7-15-12/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 107400758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).