N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine

C15H20BrNO — CID 43088568

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
SMILESCOc1ccc(Br)cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C15H20BrNO/c1-18-14-7-6-13(16)8-12(14)9-17-15(10-2-3-10)11-4-5-11/h6-8,10-11,15,17H,2-5,9H2,1H3
InChIKeyPYGLJVARDFPVHX-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.74
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine

N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine (PubChem CID 43088568) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
PubChem CID43088568
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
SMILESCOc1ccc(Br)cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C15H20BrNO/c1-18-14-7-6-13(16)8-12(14)9-17-15(10-2-3-10)11-4-5-11/h6-8,10-11,15,17H,2-5,9H2,1H3
InChIKeyPYGLJVARDFPVHX-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dicyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 28660596
N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 60781492
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423793
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
CID 43087547
N-[(5-bromo-2-methoxyphenyl)methyl]cycloheptanamine
CID 792004
3-(5-bromo-2-methoxyphenyl)-1-cyclopropylpropan-1-amine
CID 63355272
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397106
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60945297
4-[[(5-bromo-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 106126796

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine (CID 43088568) is N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine is COc1ccc(Br)cc1CNC(C1CC1)C1CC1.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine?
The InChIKey is PYGLJVARDFPVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-14-7-6-13(16)8-12(14)9-17-15(10-2-3-10)11-4-5-11/h6-8,10-11,15,17H,2-5,9H2,1H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine?
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine has a molecular weight of 310.23 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine is sourced from PubChem (CID 43088568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).