2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine

C16H21BrClNO — CID 63515400

IUPAC2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine
SMILESCc1cc(Br)cc(Cl)c1OCCNC(C1CC1)C1CC1
InChIInChI=1S/C16H21BrClNO/c1-10-8-13(17)9-14(18)16(10)20-7-6-19-15(11-2-3-11)12-4-5-12/h8-9,11-12,15,19H,2-7H2,1H3
InChIKeyBFMUWEJKVULKDF-UHFFFAOYSA-N
MW358.71 g/mol
LogP4.57
Rot. Bonds7

About 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine

2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine (PubChem CID 63515400) has the molecular formula C16H21BrClNO and a molecular weight of 358.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine
PubChem CID63515400
Molecular FormulaC16H21BrClNO
Molecular Weight358.71 g/mol
Exact Mass357.05
IUPAC Name2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine
SMILESCc1cc(Br)cc(Cl)c1OCCNC(C1CC1)C1CC1
InChIInChI=1S/C16H21BrClNO/c1-10-8-13(17)9-14(18)16(10)20-7-6-19-15(11-2-3-11)12-4-5-12/h8-9,11-12,15,19H,2-7H2,1H3
InChIKeyBFMUWEJKVULKDF-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.71
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromo-2-chloro-6-methylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63515570
2-(4-bromo-2-chloro-6-methylphenoxy)ethanamine
CID 62599292
2-(3-bromophenoxy)-N-(dicyclopropylmethyl)ethanamine
CID 55024241
N-(dicyclopropylmethyl)-2-(3-fluoro-4-methylphenoxy)ethanamine
CID 107170975
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 9480027
2-(4-bromo-2-chloro-6-methylphenoxy)-1-cyclopropylethanone
CID 63903259
4-(4-bromo-2-chloro-6-methylphenoxy)butanoic acid
CID 43351509
3-(4-bromo-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 27047233
N-(dicyclopropylmethyl)-2-(3,5-difluorophenoxy)ethanamine
CID 55112761
5-bromo-2-[4-(4-bromo-2,6-dimethylphenoxy)butoxy]-1,3-dimethylbenzene
CID 58759064
4-bromo-N-(dicyclopropylmethyl)-2,6-dimethylaniline
CID 63449070
N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
CID 62583433

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine?
The IUPAC name of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine (CID 63515400) is 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine is Cc1cc(Br)cc(Cl)c1OCCNC(C1CC1)C1CC1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine?
The InChIKey is BFMUWEJKVULKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrClNO/c1-10-8-13(17)9-14(18)16(10)20-7-6-19-15(11-2-3-11)12-4-5-12/h8-9,11-12,15,19H,2-7H2,1H3.
What are the key properties of 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine?
2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine has a molecular weight of 358.71 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-methylphenoxy)-N-(dicyclopropylmethyl)ethanamine is sourced from PubChem (CID 63515400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).