1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine

C17H24BrNO — CID 115960993

IUPAC1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(C)c1OCC1CC2CCC1C2
InChIInChI=1S/C17H24BrNO/c1-11-5-16(18)8-14(9-19-2)17(11)20-10-15-7-12-3-4-13(15)6-12/h5,8,12-13,15,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyQHUKIOIPXGJAQN-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.29
Rot. Bonds5

About 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine

1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine (PubChem CID 115960993) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
PubChem CID115960993
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine
SMILESCNCc1cc(Br)cc(C)c1OCC1CC2CCC1C2
InChIInChI=1S/C17H24BrNO/c1-11-5-16(18)8-14(9-19-2)17(11)20-10-15-7-12-3-4-13(15)6-12/h5,8,12-13,15,19H,3-4,6-7,9-10H2,1-2H3
InChIKeyQHUKIOIPXGJAQN-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]methyl]ethanamine
CID 115961161
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]-N-methylmethanamine
CID 112608431
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-methoxyphenyl]-N-methylmethanamine
CID 79554576
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-N-methyl-2-(methylaminomethyl)aniline
CID 63683349
1-(5-bromo-3-methyl-2-prop-2-ynoxyphenyl)-N-methylmethanamine
CID 112620121
N-[[5-bromo-2-(cyclobutylmethoxy)-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 115961722
1-(5-bromo-3-methyl-2-octoxyphenyl)-N-methylmethanamine
CID 115960948
1-[5-bromo-2-[(4-bromophenyl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115960973
N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
1-[5-bromo-2-[3-(2-methoxyethoxy)propoxy]-3-methylphenyl]-N-methylmethanamine
CID 103409144
2-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methylphenyl]ethanamine
CID 112614818
4-[4-bromo-2-methyl-6-(methylaminomethyl)phenoxy]butanenitrile
CID 112620093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine (CID 115960993) is 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine is CNCc1cc(Br)cc(C)c1OCC1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine?
The InChIKey is QHUKIOIPXGJAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-11-5-16(18)8-14(9-19-2)17(11)20-10-15-7-12-3-4-13(15)6-12/h5,8,12-13,15,19H,3-4,6-7,9-10H2,1-2H3.
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine?
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine has a molecular weight of 338.29 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-bromo-3-methylphenyl]-N-methylmethanamine is sourced from PubChem (CID 115960993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).