1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine

C15H22BrNO — CID 107001318

IUPAC1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)C2CC2(C)C)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-5-18-10-6-7-11(13(16)8-10)14(17-4)12-9-15(12,2)3/h6-8,12,14,17H,5,9H2,1-4H3
InChIKeyUQHFJABZTNFFPS-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.15
Rot. Bonds5

About 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine

1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine (PubChem CID 107001318) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
PubChem CID107001318
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC Name1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine
SMILESCCOc1ccc(C(NC)C2CC2(C)C)c(Br)c1
InChIInChI=1S/C15H22BrNO/c1-5-18-10-6-7-11(13(16)8-10)14(17-4)12-9-15(12,2)3/h6-8,12,14,17H,5,9H2,1-4H3
InChIKeyUQHFJABZTNFFPS-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-ethoxybenzene
CID 107182502
1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 107987565
N-[(2-bromo-4-ethoxyphenyl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107178004
N-[(2,2-dimethylcyclopropyl)-(4-ethoxyphenyl)methyl]propan-1-amine
CID 107001090
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
1-(2,2-dimethylcyclopentyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 107177179
1-(2-bromo-4-ethoxyphenyl)-1-(4-methoxythiophen-2-yl)-N-methylmethanamine
CID 81121867
1-(2,2-dimethylcyclopropyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 107004239
1-[2-bromo-4-(2-cyclopropylethoxy)phenyl]-N-methylethanamine
CID 106202263
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
1-(2-bromo-4-ethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 114212844
(2,2-dimethylcyclopropyl)-(3-ethoxyphenyl)methanol
CID 107005428

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine (CID 107001318) is 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine is CCOc1ccc(C(NC)C2CC2(C)C)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
The InChIKey is UQHFJABZTNFFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-5-18-10-6-7-11(13(16)8-10)14(17-4)12-9-15(12,2)3/h6-8,12,14,17H,5,9H2,1-4H3.
What are the key properties of 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine?
1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine has a molecular weight of 312.25 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-ethoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-methylmethanamine is sourced from PubChem (CID 107001318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).