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

C13H18BrN — CID 115714631

IUPACN-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
SMILESCC(NCc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C13H18BrN/c1-10(12-5-3-6-12)15-9-11-4-2-7-13(14)8-11/h2,4,7-8,10,12,15H,3,5-6,9H2,1H3
InChIKeyMDTLVCLMEUTDSN-UHFFFAOYSA-N
MW268.20 g/mol
LogP3.73
Rot. Bonds4

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

N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine (PubChem CID 115714631) has the molecular formula C13H18BrN and a molecular weight of 268.20 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
PubChem CID115714631
Molecular FormulaC13H18BrN
Molecular Weight268.20 g/mol
Exact Mass267.06
IUPAC NameN-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
SMILESCC(NCc1cccc(Br)c1)C1CCC1
InChIInChI=1S/C13H18BrN/c1-10(12-5-3-6-12)15-9-11-4-2-7-13(14)8-11/h2,4,7-8,10,12,15H,3,5-6,9H2,1H3
InChIKeyMDTLVCLMEUTDSN-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1R)-N-[(3-chlorophenyl)methyl]-1-cyclobutylethanamine
CID 97321615
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
CID 61401079
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
(1R)-N-[(4-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81384290
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine (CID 115714631) is N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine is CC(NCc1cccc(Br)c1)C1CCC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine?
The InChIKey is MDTLVCLMEUTDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN/c1-10(12-5-3-6-12)15-9-11-4-2-7-13(14)8-11/h2,4,7-8,10,12,15H,3,5-6,9H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine?
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine has a molecular weight of 268.20 g/mol, XLogP of 3.73, 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-cyclobutylethanamine is sourced from PubChem (CID 115714631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).