3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

C17H19BrN2 — CID 62322840

IUPAC3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1cccc(CNC2CC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C17H19BrN2/c1-12-3-2-4-16(20-12)11-19-17-9-14(10-17)13-5-7-15(18)8-6-13/h2-8,14,17,19H,9-11H2,1H3
InChIKeyRKGIIEKKPIMXGM-UHFFFAOYSA-N
MW331.26 g/mol
LogP4.19
Rot. Bonds4

About 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine

3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 62322840) has the molecular formula C17H19BrN2 and a molecular weight of 331.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID62322840
Molecular FormulaC17H19BrN2
Molecular Weight331.26 g/mol
Exact Mass330.07
IUPAC Name3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCc1cccc(CNC2CC(c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C17H19BrN2/c1-12-3-2-4-16(20-12)11-19-17-9-14(10-17)13-5-7-15(18)8-6-13/h2-8,14,17,19H,9-11H2,1H3
InChIKeyRKGIIEKKPIMXGM-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 63238923
cis-(1R,3S)-3-[(6-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 155506980
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
tert-butyl N-[3-[(6-methyl-2-pyridinyl)methylamino]cyclobutyl]carbamate
CID 80560824
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 112582422
3-(4-bromophenyl)-N-(2,2-dimethylbutyl)cyclobutan-1-amine
CID 103460849
3-(4-methylphenyl)-N-[(2-methylpyrimidin-4-yl)methyl]cyclobutan-1-amine
CID 61016617
3-(4-bromophenyl)-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 43634519
3-(4-methylphenyl)-N-(pyridazin-3-ylmethyl)cyclobutan-1-amine
CID 106895177
2,2-diethyl-N-[(6-methyl-2-pyridinyl)methyl]oxan-4-amine
CID 83032839
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (CID 62322840) is 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is Cc1cccc(CNC2CC(c3ccc(Br)cc3)C2)n1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is RKGIIEKKPIMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2/c1-12-3-2-4-16(20-12)11-19-17-9-14(10-17)13-5-7-15(18)8-6-13/h2-8,14,17,19H,9-11H2,1H3.
What are the key properties of 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 331.26 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 62322840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).