1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C16H24BrNO — CID 66475724

IUPAC1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc(Br)ccc1OC)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H24BrNO/c1-15(2)14(16(15,3)4)13(18-5)11-9-10(17)7-8-12(11)19-6/h7-9,13-14,18H,1-6H3
InChIKeyRVNWTJLSMSFCID-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.40
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 66475724) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID66475724
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCNC(c1cc(Br)ccc1OC)C1C(C)(C)C1(C)C
InChIInChI=1S/C16H24BrNO/c1-15(2)14(16(15,3)4)13(18-5)11-9-10(17)7-8-12(11)19-6/h7-9,13-14,18H,1-6H3
InChIKeyRVNWTJLSMSFCID-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-[bromo-(2,2,3,3-tetramethylcyclopropyl)methyl]-1-methoxybenzene
CID 66476577
1-(4-methoxy-3-methylphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66476681
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 43480086
1-(5-bromo-2-chlorophenyl)-1-(5-bromo-2-methoxyphenyl)-N-methylmethanamine
CID 43480017
1-(5-bromo-2-methoxyphenyl)-N,N',N'-trimethylmethanediamine
CID 116909226
[(2-methoxy-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105303576
1-(5-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)-N-methylmethanamine
CID 104545863
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66478019
1-(5-bromo-2-methoxyphenyl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43480052
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 79214867

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 66475724) is 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CNC(c1cc(Br)ccc1OC)C1C(C)(C)C1(C)C.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is RVNWTJLSMSFCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-15(2)14(16(15,3)4)13(18-5)11-9-10(17)7-8-12(11)19-6/h7-9,13-14,18H,1-6H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 326.28 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 66475724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).