N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine

C13H20BrNO2 — CID 60964408

IUPACN-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-10(9-16-3)15(2)8-11-5-6-13(17-4)12(14)7-11/h5-7,10H,8-9H2,1-4H3
InChIKeyGJJRHEBXEVXPGJ-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.92
Rot. Bonds6

About N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine

N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 60964408) has the molecular formula C13H20BrNO2 and a molecular weight of 302.21 g/mol. Its IUPAC name is N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID60964408
Molecular FormulaC13H20BrNO2
Molecular Weight302.21 g/mol
Exact Mass301.07
IUPAC NameN-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C13H20BrNO2/c1-10(9-16-3)15(2)8-11-5-6-13(17-4)12(14)7-11/h5-7,10H,8-9H2,1-4H3
InChIKeyGJJRHEBXEVXPGJ-UHFFFAOYSA-N
XLogP2.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-methoxy-4-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982146
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CID 54942276
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62019115
N-[(3-bromo-4-methoxyphenyl)methyl]-1-(2-chlorophenyl)-N-methylethanamine
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(2R)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxypropan-2-amine
CID 781010
N-benzyl-N-[(3-bromo-4-methoxyphenyl)methyl]propan-2-amine
CID 60688895
N-[[4-(aminomethyl)phenyl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 61453087
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
3-bromo-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzenesulfonamide
CID 61059985
2-methoxy-5-[[methyl(4-methylpentan-2-yl)amino]methyl]phenol
CID 82985643
2-[(3-bromo-4-methoxyphenyl)methyl-methylamino]ethanethiol
CID 115224072
2-[(3-bromo-4-methoxyphenyl)methyl-propan-2-ylamino]ethanol
CID 60696343

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine (CID 60964408) is N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is GJJRHEBXEVXPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2/c1-10(9-16-3)15(2)8-11-5-6-13(17-4)12(14)7-11/h5-7,10H,8-9H2,1-4H3.
What are the key properties of N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine?
N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 302.21 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methoxyphenyl)methyl]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 60964408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).