3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine

C12H18BrClN2 — CID 114836921

IUPAC3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
SMILESCC(C)CC(C)N(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H18BrClN2/c1-8(2)5-9(3)16(4)12-11(13)6-10(14)7-15-12/h6-9H,5H2,1-4H3
InChIKeyMXRRAHGOLPTCJM-UHFFFAOYSA-N
MW305.65 g/mol
LogP4.37
Rot. Bonds4

About 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine

3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine (PubChem CID 114836921) has the molecular formula C12H18BrClN2 and a molecular weight of 305.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
PubChem CID114836921
Molecular FormulaC12H18BrClN2
Molecular Weight305.65 g/mol
Exact Mass304.03
IUPAC Name3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine
SMILESCC(C)CC(C)N(C)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H18BrClN2/c1-8(2)5-9(3)16(4)12-11(13)6-10(14)7-15-12/h6-9H,5H2,1-4H3
InChIKeyMXRRAHGOLPTCJM-UHFFFAOYSA-N
XLogP4.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.65
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-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

3-bromo-N-(1-bromopropan-2-yl)-5-chloro-N-methylpyridin-2-amine
CID 114838597
3-bromo-N,5-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 105367831
3-bromo-N-butan-2-yl-5-chloro-N-ethylpyridin-2-amine
CID 114836698
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114838298
N-(1-bromopropan-2-yl)-5-chloro-3-fluoro-N-methylpyridin-2-amine
CID 104555270
3-bromo-5-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 114837418
N-butan-2-yl-5-chloro-3-fluoro-N-methylpyridin-2-amine
CID 79728281
3-[(3-bromo-5-chloro-2-pyridinyl)-propan-2-ylamino]propanenitrile
CID 114835463
5-(bromomethyl)-N,3-dimethyl-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 107081935
3-chloro-N-methyl-N-(4-methylpentan-2-yl)-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62288855

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine (CID 114836921) is 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine is CC(C)CC(C)N(C)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
The InChIKey is MXRRAHGOLPTCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN2/c1-8(2)5-9(3)16(4)12-11(13)6-10(14)7-15-12/h6-9H,5H2,1-4H3.
What are the key properties of 3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine?
3-bromo-5-chloro-N-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine has a molecular weight of 305.65 g/mol, XLogP of 4.37, 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-methyl-N-(4-methylpentan-2-yl)pyridin-2-amine is sourced from PubChem (CID 114836921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).