N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

C13H19BrClNO — CID 103581873

IUPACN-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H19BrClNO/c1-4-17-13(2,3)9-16-8-10-5-6-11(14)12(15)7-10/h5-7,16H,4,8-9H2,1-3H3
InChIKeyIIVTUDPGGILNFM-UHFFFAOYSA-N
MW320.66 g/mol
LogP4.01
Rot. Bonds6

About N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine

N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (PubChem CID 103581873) has the molecular formula C13H19BrClNO and a molecular weight of 320.66 g/mol. Its IUPAC name is N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
PubChem CID103581873
Molecular FormulaC13H19BrClNO
Molecular Weight320.66 g/mol
Exact Mass319.03
IUPAC NameN-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)CNCc1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H19BrClNO/c1-4-17-13(2,3)9-16-8-10-5-6-11(14)12(15)7-10/h5-7,16H,4,8-9H2,1-3H3
InChIKeyIIVTUDPGGILNFM-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941226
N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940760
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]-2-ethylbutan-1-ol
CID 106251907
N-[(4-bromo-3-chlorophenyl)methyl]propan-1-amine;fluoromethane
CID 142451886
N-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyethanamine
CID 81294847
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
2-ethoxy-2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438131
1-N-[(4-bromo-3-chlorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 103581679
4-[(4-bromo-3-chlorophenyl)methylamino]butan-1-ol
CID 171065990
N-[(4-bromo-3-chlorophenyl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 103581569

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine (CID 103581873) is N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)CNCc1ccc(Br)c(Cl)c1.
What is the InChIKey of N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is IIVTUDPGGILNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClNO/c1-4-17-13(2,3)9-16-8-10-5-6-11(14)12(15)7-10/h5-7,16H,4,8-9H2,1-3H3.
What are the key properties of N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine?
N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 320.66 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 103581873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).