N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine

C12H15Br2NO — CID 62599154

IUPACN-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
SMILESBrc1cccc(Br)c1OCCNCC1CC1
InChIInChI=1S/C12H15Br2NO/c13-10-2-1-3-11(14)12(10)16-7-6-15-8-9-4-5-9/h1-3,9,15H,4-8H2
InChIKeyQHWNJUPCYOGUSQ-UHFFFAOYSA-N
MW349.07 g/mol
LogP3.59
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine

N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine (PubChem CID 62599154) has the molecular formula C12H15Br2NO and a molecular weight of 349.07 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
PubChem CID62599154
Molecular FormulaC12H15Br2NO
Molecular Weight349.07 g/mol
Exact Mass346.95
IUPAC NameN-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine
SMILESBrc1cccc(Br)c1OCCNCC1CC1
InChIInChI=1S/C12H15Br2NO/c13-10-2-1-3-11(14)12(10)16-7-6-15-8-9-4-5-9/h1-3,9,15H,4-8H2
InChIKeyQHWNJUPCYOGUSQ-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.07
LogP ≤ 53.59
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-(2,6-dibromophenoxy)ethyl]cyclopentanamine
CID 62599325
N-[2-(2,6-dibromophenoxy)ethyl]cyclohexanamine
CID 63505937
N-(cyclopropylmethyl)-2-(2,3,4,5,6-pentachlorophenoxy)ethanamine
CID 55195723
3-(2,6-dibromophenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62599508
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418
2-(6-bromonaphthalen-2-yl)oxy-N-(cyclopropylmethyl)ethanamine
CID 62570775
N-(cyclopropylmethyl)-2-(3-methylsulfonylphenoxy)ethanamine
CID 55093216
2-(3-chlorophenoxy)-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 142231301
N-(cyclopentylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine
CID 63505531
N-[(4-chlorocyclohexyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 106123587
2-(2,6-dibromophenoxy)-N-[(3-methylthiophen-2-yl)methyl]ethanamine
CID 63505783

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine (CID 62599154) is N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine is Brc1cccc(Br)c1OCCNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine?
The InChIKey is QHWNJUPCYOGUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO/c13-10-2-1-3-11(14)12(10)16-7-6-15-8-9-4-5-9/h1-3,9,15H,4-8H2.
What are the key properties of N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine?
N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine has a molecular weight of 349.07 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(2,6-dibromophenoxy)ethanamine is sourced from PubChem (CID 62599154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).