N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine

C14H22BrNO2 — CID 66525625

IUPACN-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(OCC)c(OC(C)C)cc1Br
InChIInChI=1S/C14H22BrNO2/c1-5-16-9-11-7-13(17-6-2)14(8-12(11)15)18-10(3)4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyVCLZBWQCZZYIQY-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.74
Rot. Bonds7

About N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine

N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 66525625) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID66525625
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC NameN-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCCNCc1cc(OCC)c(OC(C)C)cc1Br
InChIInChI=1S/C14H22BrNO2/c1-5-16-9-11-7-13(17-6-2)14(8-12(11)15)18-10(3)4/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyVCLZBWQCZZYIQY-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2-methylpropan-1-amine
CID 66533835
1-(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)-N-methylmethanamine
CID 66533821
2-[3-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66538402
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-phenylmethanamine
CID 66533939
2-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 66533872
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-3-butoxypropan-1-amine
CID 66533789
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-4-chloroaniline
CID 66544608
N-[4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]phenyl]-2-methylpropanamide
CID 66544844
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 66544689
4-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]-3-propyl-1H-1,2,4-triazole-5-thione
CID 66545004
1-N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]tetrazole-1,5-diamine
CID 66544764
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxin-6-amine
CID 66544923

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine (CID 66525625) is N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine is CCNCc1cc(OCC)c(OC(C)C)cc1Br.
What is the InChIKey of N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is VCLZBWQCZZYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-5-16-9-11-7-13(17-6-2)14(8-12(11)15)18-10(3)4/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 316.24 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 66525625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).