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

C12H16BrClN2 — CID 107400761

IUPAC5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/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
InChIKeyTZYXDVFJIGKVAP-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.12
Rot. Bonds4

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

5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine (PubChem CID 107400761) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
PubChem CID107400761
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
SMILESCCN(CC1CCC1)c1ncc(Br)cc1Cl
InChIInChI=1S/C12H16BrClN2/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
InChIKeyTZYXDVFJIGKVAP-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-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
3-bromo-5-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400758
5-chloro-N-(cyclobutylmethyl)-N-ethyl-3-fluoropyridin-2-amine
CID 107400753
5-bromo-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylpyridin-2-amine
CID 103583262
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
3-chloro-5-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-ethylpyridin-2-amine
CID 63941049
5-bromo-3-chloro-N-methyl-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106642794
3-bromo-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine
CID 107400762
3-chloro-N-(cyclopropylmethyl)-N-ethylpyrazin-2-amine
CID 63956678
N-[(3-aminocyclobutyl)methyl]-5-bromo-3-chloro-N-methylpyridin-2-amine
CID 103584238
5-bromo-3-chloro-N-cyclopentyl-N-(3-methylbutyl)pyridin-2-amine
CID 103583405
5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 62001137

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine (CID 107400761) is 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine is CCN(CC1CCC1)c1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is TZYXDVFJIGKVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/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-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine?
5-bromo-3-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 5-bromo-3-chloro-N-(cyclobutylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 107400761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).