2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine

C16H24BrNO — CID 107004487

IUPAC2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)C1CC1(C)C
InChIInChI=1S/C16H24BrNO/c1-5-18-15(13-10-16(13,2)3)9-11-8-12(19-4)6-7-14(11)17/h6-8,13,15,18H,5,9-10H2,1-4H3
InChIKeyBBTYFZQGWBWRNO-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.02
Rot. Bonds6

About 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine

2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine (PubChem CID 107004487) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
PubChem CID107004487
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(OC)ccc1Br)C1CC1(C)C
InChIInChI=1S/C16H24BrNO/c1-5-18-15(13-10-16(13,2)3)9-11-8-12(19-4)6-7-14(11)17/h6-8,13,15,18H,5,9-10H2,1-4H3
InChIKeyBBTYFZQGWBWRNO-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bicyclo[3.1.0]hexanyl)-2-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 115862199
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
[2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopentyl)ethyl]hydrazine
CID 107194005
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3,3-dimethylbutan-2-amine
CID 65325556
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107004230
1-(2-bromo-5-methoxyphenyl)-N-ethyl-3-methoxypentan-2-amine
CID 116715608
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66026670
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
N-[2-(2-bromo-5-methoxyphenyl)-1-(thian-2-yl)ethyl]propan-1-amine
CID 80627452
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 115862299
2-(2-bromo-5-methoxyphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801475

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine (CID 107004487) is 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine is CCNC(Cc1cc(OC)ccc1Br)C1CC1(C)C.
What is the InChIKey of 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
The InChIKey is BBTYFZQGWBWRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-5-18-15(13-10-16(13,2)3)9-11-8-12(19-4)6-7-14(11)17/h6-8,13,15,18H,5,9-10H2,1-4H3.
What are the key properties of 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine?
2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine has a molecular weight of 326.28 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-methoxyphenyl)-1-(2,2-dimethylcyclopropyl)-N-ethylethanamine is sourced from PubChem (CID 107004487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).