N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine

C18H22BrNO — CID 43282741

IUPACN-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H22BrNO/c1-4-20-12-15-8-9-16(19)11-18(15)21-17-7-5-6-14(10-17)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyAKBNQJQEUJTWSG-UHFFFAOYSA-N
MW348.28 g/mol
LogP5.47
Rot. Bonds6

About N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine

N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine (PubChem CID 43282741) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
PubChem CID43282741
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Br)cc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H22BrNO/c1-4-20-12-15-8-9-16(19)11-18(15)21-17-7-5-6-14(10-17)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyAKBNQJQEUJTWSG-UHFFFAOYSA-N
XLogP5.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43314145
N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282754
N-[[4-bromo-2-(3-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283242
4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene
CID 162362054
N-[[4-bromo-2-(5-bromo-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 114674405
N-[[4-bromo-2-(4-bromophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552178
1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
CID 62336542
5-bromo-2-(3-propan-2-ylphenoxy)benzenecarbothioamide
CID 114892189
N-[[4-(4-bromo-2-methylphenoxy)-2-methylphenyl]methyl]ethanamine
CID 63552221
N-[1-[3-(5-bromo-2-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 107284781
1-[3-(4-bromo-2-fluorophenoxy)phenyl]-N-ethylethanamine
CID 79167955
N-[[4-(4-bromo-2-chlorophenoxy)-2-methylphenyl]methyl]ethanamine
CID 63550708

Frequently Asked Questions

What is the IUPAC name of N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine (CID 43282741) is N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Br)cc1Oc1cccc(C(C)C)c1.
What is the InChIKey of N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is AKBNQJQEUJTWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-4-20-12-15-8-9-16(19)11-18(15)21-17-7-5-6-14(10-17)13(2)3/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 348.28 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43282741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).