N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine

C15H24BrNO2 — CID 66537350

IUPACN-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1c(OC)ccc(Br)c1CNC(C)(C)C
InChIInChI=1S/C15H24BrNO2/c1-6-9-19-14-11(10-17-15(2,3)4)12(16)7-8-13(14)18-5/h7-8,17H,6,9-10H2,1-5H3
InChIKeyGCSVZJXCWCPQET-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.13
Rot. Bonds6

About N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine

N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine (PubChem CID 66537350) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine
PubChem CID66537350
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC NameN-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine
SMILESCCCOc1c(OC)ccc(Br)c1CNC(C)(C)C
InChIInChI=1S/C15H24BrNO2/c1-6-9-19-14-11(10-17-15(2,3)4)12(16)7-8-13(14)18-5/h7-8,17H,6,9-10H2,1-5H3
InChIKeyGCSVZJXCWCPQET-UHFFFAOYSA-N
XLogP4.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]butan-1-amine
CID 66537181
2-[(6-bromo-3-methoxy-2-propoxyphenyl)methylamino]ethanol
CID 66537178
2-[3-bromo-2-[(tert-butylamino)methyl]-6-methoxyphenoxy]-N-tert-butylacetamide
CID 66536168
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-1-(2-chlorophenyl)methanamine
CID 66537190
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]adamantan-1-amine
CID 66537167
N-[(6-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]-2-methylbutan-2-amine
CID 66536017
2-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-2-methylpropan-1-ol
CID 66536812
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
4-[(6-bromo-3-methoxy-2-propoxyphenyl)methylamino]-3-ethyl-1H-1,2,4-triazole-5-thione
CID 66543492
N-[(6-bromo-2-ethoxy-3-methoxyphenyl)methyl]-4-methylaniline
CID 66543424
2-[[6-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-2-methylpropan-1-ol
CID 66536755
N-[[6-bromo-2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylbutan-2-amine
CID 66535949

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine (CID 66537350) is N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine is CCCOc1c(OC)ccc(Br)c1CNC(C)(C)C.
What is the InChIKey of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine?
The InChIKey is GCSVZJXCWCPQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-6-9-19-14-11(10-17-15(2,3)4)12(16)7-8-13(14)18-5/h7-8,17H,6,9-10H2,1-5H3.
What are the key properties of N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine?
N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine has a molecular weight of 330.27 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-3-methoxy-2-propoxyphenyl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 66537350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).