N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine

C15H18BrN3 — CID 102637721

IUPACN-(2-bromocyclohexyl)-N-methylquinazolin-2-amine
SMILESCN(c1ncc2ccccc2n1)C1CCCCC1Br
InChIInChI=1S/C15H18BrN3/c1-19(14-9-5-3-7-12(14)16)15-17-10-11-6-2-4-8-13(11)18-15/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3
InChIKeyAPKNRDAKNPONOZ-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.77
Rot. Bonds2

About N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine

N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine (PubChem CID 102637721) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-N-methylquinazolin-2-amine
PubChem CID102637721
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC NameN-(2-bromocyclohexyl)-N-methylquinazolin-2-amine
SMILESCN(c1ncc2ccccc2n1)C1CCCCC1Br
InChIInChI=1S/C15H18BrN3/c1-19(14-9-5-3-7-12(14)16)15-17-10-11-6-2-4-8-13(11)18-15/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3
InChIKeyAPKNRDAKNPONOZ-UHFFFAOYSA-N
XLogP3.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromocyclohexyl)-5-iodo-N-methylpyrimidin-2-amine
CID 102637613
2-bromo-N-methyl-N-(quinolin-2-ylmethyl)cyclohexan-1-amine
CID 102637233
N-(2-bromocyclohexyl)-N-methylcinnolin-4-amine
CID 102637586
N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
CID 114789865
N-(2-chloroethyl)-N-methylquinazolin-2-amine
CID 114789805
N-(2-bromocyclohexyl)-N,5-dimethylpyridin-2-amine
CID 102637695
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788671
1-cyclopropyl-N-methyl-N-quinazolin-2-ylethane-1,2-diamine
CID 114789555
N-(2-bromocyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 102637629
N-methyl-N-prop-1-en-2-ylquinazolin-2-amine
CID 157035873
N-(2-bromocyclohexyl)-N,4-dimethylphthalazin-1-amine
CID 102637599
N-ethyl-N-(piperidin-2-ylmethyl)quinazolin-2-amine
CID 106641730

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine?
The IUPAC name of N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine (CID 102637721) is N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine.
What is the SMILES notation for N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine?
The canonical SMILES for N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine is CN(c1ncc2ccccc2n1)C1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine?
The InChIKey is APKNRDAKNPONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19(14-9-5-3-7-12(14)16)15-17-10-11-6-2-4-8-13(11)18-15/h2,4,6,8,10,12,14H,3,5,7,9H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine?
N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-N-methylquinazolin-2-amine is sourced from PubChem (CID 102637721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).