N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine

C15H22BrNO — CID 81017189

IUPACN-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO/c1-3-17-10-12-5-4-11(12)8-13-9-14(16)6-7-15(13)18-2/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3
InChIKeyDIWYLCZKISHDFK-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.64
Rot. Bonds6

About N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine

N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine (PubChem CID 81017189) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
PubChem CID81017189
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
SMILESCCNCC1CCC1Cc1cc(Br)ccc1OC
InChIInChI=1S/C15H22BrNO/c1-3-17-10-12-5-4-11(12)8-13-9-14(16)6-7-15(13)18-2/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3
InChIKeyDIWYLCZKISHDFK-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81018146
N-[[2-[(2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine
CID 81018226
N-[[2-[(2-methoxy-5-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033186
2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutan-1-amine
CID 81014703
N-[[2-[(2-methoxyphenyl)methyl]cyclohexyl]methyl]ethanamine
CID 81028833
N-[[2-[(5-chloro-2-methoxyphenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 81017307
4-bromo-2-[(2-bromocyclohexyl)methyl]-1-methoxybenzene
CID 63472769
N-[[2-[(4-bromo-2-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 81033024
2-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 54971608
[2-[(5-bromo-2-methoxyphenyl)methyl]-4-propylcyclohexyl]methanamine
CID 81012982
N'-[(5-bromo-2-methoxyphenyl)methyl]-N-ethylethane-1,2-diamine
CID 115205817
4-[(5-bromo-2-methoxyphenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926328

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine (CID 81017189) is N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine is CCNCC1CCC1Cc1cc(Br)ccc1OC.
What is the InChIKey of N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine?
The InChIKey is DIWYLCZKISHDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-3-17-10-12-5-4-11(12)8-13-9-14(16)6-7-15(13)18-2/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine?
N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine has a molecular weight of 312.25 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-2-methoxyphenyl)methyl]cyclobutyl]methyl]ethanamine is sourced from PubChem (CID 81017189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).