N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine

C13H17Br2NO — CID 102610336

IUPACN-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(Br)c(Br)c2)C1
InChIInChI=1S/C13H17Br2NO/c1-2-17-11-6-10(7-11)16-8-9-3-4-12(14)13(15)5-9/h3-5,10-11,16H,2,6-8H2,1H3
InChIKeyNJHCTQTWBYFYOR-UHFFFAOYSA-N
MW363.09 g/mol
LogP3.87
Rot. Bonds5

About N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine

N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine (PubChem CID 102610336) has the molecular formula C13H17Br2NO and a molecular weight of 363.09 g/mol. Its IUPAC name is N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
PubChem CID102610336
Molecular FormulaC13H17Br2NO
Molecular Weight363.09 g/mol
Exact Mass360.97
IUPAC NameN-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2ccc(Br)c(Br)c2)C1
InChIInChI=1S/C13H17Br2NO/c1-2-17-11-6-10(7-11)16-8-9-3-4-12(14)13(15)5-9/h3-5,10-11,16H,2,6-8H2,1H3
InChIKeyNJHCTQTWBYFYOR-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.09
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610287
4-[[(3-ethoxycyclobutyl)amino]methyl]-2-fluoroaniline
CID 114119839
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917716
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597
4-[[(3-ethoxycyclobutyl)amino]methyl]-N-methylbenzamide
CID 112553050
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
N-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671512
N-[(3-bromo-4-propoxyphenyl)methyl]cyclopropanamine
CID 29222762

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine (CID 102610336) is N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NCc2ccc(Br)c(Br)c2)C1.
What is the InChIKey of N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is NJHCTQTWBYFYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Br2NO/c1-2-17-11-6-10(7-11)16-8-9-3-4-12(14)13(15)5-9/h3-5,10-11,16H,2,6-8H2,1H3.
What are the key properties of N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine?
N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 363.09 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 102610336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).