N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine

C16H27BrN2 — CID 102770674

IUPACN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCNCc1ccc(CN(CC(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C16H27BrN2/c1-12(2)10-19(13(3)4)11-15-7-6-14(9-18-5)8-16(15)17/h6-8,12-13,18H,9-11H2,1-5H3
InChIKeyZWOYRJXTKQWWEL-UHFFFAOYSA-N
MW327.31 g/mol
LogP4.03
Rot. Bonds7

About N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine (PubChem CID 102770674) has the molecular formula C16H27BrN2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
PubChem CID102770674
Molecular FormulaC16H27BrN2
Molecular Weight327.31 g/mol
Exact Mass326.14
IUPAC NameN-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
SMILESCNCc1ccc(CN(CC(C)C)C(C)C)c(Br)c1
InChIInChI=1S/C16H27BrN2/c1-12(2)10-19(13(3)4)11-15-7-6-14(9-18-5)8-16(15)17/h6-8,12-13,18H,9-11H2,1-5H3
InChIKeyZWOYRJXTKQWWEL-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine
CID 102771582
N-[[3-bromo-4-[[propan-2-yl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102769543
1-[3-bromo-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102769304
2-methyl-N-[[2-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 55072302
methyl 3-bromo-4-[[2-methylpropyl(propan-2-yl)amino]methyl]benzoate
CID 102767386
N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 102769521
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N,4-dimethylaniline
CID 102770113
1-[3-bromo-4-[[methyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-methylmethanamine
CID 102769753
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 102770233
1-[3-bromo-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 102771609
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-prop-2-enylpropan-1-amine
CID 102771722
N-[[5-(ethylaminomethyl)-2-methoxyphenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 62018369

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The IUPAC name of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine (CID 102770674) is N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine is CNCc1ccc(CN(CC(C)C)C(C)C)c(Br)c1.
What is the InChIKey of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
The InChIKey is ZWOYRJXTKQWWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2/c1-12(2)10-19(13(3)4)11-15-7-6-14(9-18-5)8-16(15)17/h6-8,12-13,18H,9-11H2,1-5H3.
What are the key properties of N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine?
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine has a molecular weight of 327.31 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 102770674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).