3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine

C12H17BrN2 — CID 115214133

IUPAC3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
SMILESNC1CC(CNCc2cccc(Br)c2)C1
InChIInChI=1S/C12H17BrN2/c13-11-3-1-2-9(4-11)7-15-8-10-5-12(14)6-10/h1-4,10,12,15H,5-8,14H2
InChIKeyNNRZOMCNPDCFOR-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.28
Rot. Bonds4

About 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine

3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine (PubChem CID 115214133) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
PubChem CID115214133
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
SMILESNC1CC(CNCc2cccc(Br)c2)C1
InChIInChI=1S/C12H17BrN2/c13-11-3-1-2-9(4-11)7-15-8-10-5-12(14)6-10/h1-4,10,12,15H,5-8,14H2
InChIKeyNNRZOMCNPDCFOR-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223764
(2R,3R,4S)-2-[[(3-bromophenyl)methylamino]methyl]pyrrolidine-3,4-diol
CID 10859579
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
2-[(3-bromophenyl)methylamino]ethanol;hydrochloride
CID 2960455
2-[(3-bromophenyl)methylamino]ethanol chloride
CID 53350733
N-[(3-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80594881
3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214038
3-[[2-(5-bromo-2-fluorophenyl)ethylamino]methyl]cyclobutan-1-amine
CID 115214310

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine?
The IUPAC name of 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine (CID 115214133) is 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine?
The canonical SMILES for 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine is NC1CC(CNCc2cccc(Br)c2)C1.
What is the InChIKey of 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine?
The InChIKey is NNRZOMCNPDCFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-11-3-1-2-9(4-11)7-15-8-10-5-12(14)6-10/h1-4,10,12,15H,5-8,14H2.
What are the key properties of 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine?
3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine has a molecular weight of 269.19 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine is sourced from PubChem (CID 115214133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).