N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine

C15H24BrNO — CID 43087547

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
SMILESCOc1ccc(Br)cc1CNC(C)CCC(C)C
InChIInChI=1S/C15H24BrNO/c1-11(2)5-6-12(3)17-10-13-9-14(16)7-8-15(13)18-4/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyAQPNXGZDMNUIMQ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.37
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine (PubChem CID 43087547) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
PubChem CID43087547
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
SMILESCOc1ccc(Br)cc1CNC(C)CCC(C)C
InChIInChI=1S/C15H24BrNO/c1-11(2)5-6-12(3)17-10-13-9-14(16)7-8-15(13)18-4/h7-9,11-12,17H,5-6,10H2,1-4H3
InChIKeyAQPNXGZDMNUIMQ-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43371768
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640127
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
(1S)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349676
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60945297
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 43217091
methyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 43231106
N-[(5-bromo-2-methoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 43088568
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
CID 43696003

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine (CID 43087547) is N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine is COc1ccc(Br)cc1CNC(C)CCC(C)C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine?
The InChIKey is AQPNXGZDMNUIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-11(2)5-6-12(3)17-10-13-9-14(16)7-8-15(13)18-4/h7-9,11-12,17H,5-6,10H2,1-4H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine has a molecular weight of 314.27 g/mol, XLogP of 4.37, 7 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]-5-methylhexan-2-amine is sourced from PubChem (CID 43087547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).