N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine

C14H19Br2NO2 — CID 102610287

IUPACN-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2cc(Br)c(OC)c(Br)c2)C1
InChIInChI=1S/C14H19Br2NO2/c1-3-19-11-6-10(7-11)17-8-9-4-12(15)14(18-2)13(16)5-9/h4-5,10-11,17H,3,6-8H2,1-2H3
InChIKeyLXMTYHVGNQOQPD-UHFFFAOYSA-N
MW393.12 g/mol
LogP3.88
Rot. Bonds6

About N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine (PubChem CID 102610287) has the molecular formula C14H19Br2NO2 and a molecular weight of 393.12 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
PubChem CID102610287
Molecular FormulaC14H19Br2NO2
Molecular Weight393.12 g/mol
Exact Mass390.98
IUPAC NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCc2cc(Br)c(OC)c(Br)c2)C1
InChIInChI=1S/C14H19Br2NO2/c1-3-19-11-6-10(7-11)17-8-9-4-12(15)14(18-2)13(16)5-9/h4-5,10-11,17H,3,6-8H2,1-2H3
InChIKeyLXMTYHVGNQOQPD-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.12
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dibromophenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 102610336
4-[[(3-ethoxycyclobutyl)amino]methyl]-2,6-dimethoxyphenol
CID 103917436
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917716
N-[(3,5-dibromo-4-methoxyphenyl)methyl]cycloheptanamine
CID 29223558
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454771
N-[(5-bromothiophen-3-yl)methyl]-3-ethoxycyclobutan-1-amine
CID 103917694
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
CID 43612748
3-ethoxy-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]cyclobutan-1-amine
CID 103920966
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 60958120
1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
CID 82709759
4-[[(3-ethoxycyclobutyl)amino]methyl]-N,N-dimethylaniline
CID 112553007
3-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]cyclobutan-1-amine
CID 103270597

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine (CID 102610287) is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NCc2cc(Br)c(OC)c(Br)c2)C1.
What is the InChIKey of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is LXMTYHVGNQOQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br2NO2/c1-3-19-11-6-10(7-11)17-8-9-4-12(15)14(18-2)13(16)5-9/h4-5,10-11,17H,3,6-8H2,1-2H3.
What are the key properties of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine?
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 393.12 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 102610287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).