N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine

C12H16BrN — CID 43298546

IUPACN-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
SMILESBrc1cccc(CNCC2CCC2)c1
InChIInChI=1S/C12H16BrN/c13-12-6-2-5-11(7-12)9-14-8-10-3-1-4-10/h2,5-7,10,14H,1,3-4,8-9H2
InChIKeyDLGXLYTVYQMZDG-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.34
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine

N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine (PubChem CID 43298546) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
PubChem CID43298546
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC NameN-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
SMILESBrc1cccc(CNCC2CCC2)c1
InChIInChI=1S/C12H16BrN/c13-12-6-2-5-11(7-12)9-14-8-10-3-1-4-10/h2,5-7,10,14H,1,3-4,8-9H2
InChIKeyDLGXLYTVYQMZDG-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
N-[(3-bromophenyl)methyl]-1-(4-ethylcyclohexyl)methanamine
CID 63451744
3-[[(3-bromophenyl)methylamino]methyl]cyclobutan-1-amine
CID 115214133
N-[(3-bromophenyl)methyl]-1-(3,3-difluorocyclohexyl)methanamine
CID 114223764
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
N-[(3-bromophenyl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60856573
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
N-[(3-bromophenyl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 63455728
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
N-[(3-bromophenyl)methyl]-1-(thian-2-yl)methanamine
CID 80594881
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine (CID 43298546) is N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine is Brc1cccc(CNCC2CCC2)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine?
The InChIKey is DLGXLYTVYQMZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-12-6-2-5-11(7-12)9-14-8-10-3-1-4-10/h2,5-7,10,14H,1,3-4,8-9H2.
What are the key properties of N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine?
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine has a molecular weight of 254.17 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine is sourced from PubChem (CID 43298546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).