N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine

C14H22BrNO — CID 43371768

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1ccc(Br)cc1CNC(C)CC(C)C
InChIInChI=1S/C14H22BrNO/c1-10(2)7-11(3)16-9-12-8-13(15)5-6-14(12)17-4/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKeyVVUBYKVADOPOKE-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.98
Rot. Bonds6

About N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 43371768) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
PubChem CID43371768
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine
SMILESCOc1ccc(Br)cc1CNC(C)CC(C)C
InChIInChI=1S/C14H22BrNO/c1-10(2)7-11(3)16-9-12-8-13(15)5-6-14(12)17-4/h5-6,8,10-11,16H,7,9H2,1-4H3
InChIKeyVVUBYKVADOPOKE-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-5-methylhexan-2-amine
CID 43087547
2-[(5-bromo-2-methoxyphenyl)methylamino]propan-1-ol
CID 43499460
2-N-[(5-bromo-2-methoxyphenyl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82944908
methyl 2-[(5-bromo-2-methoxyphenyl)methylamino]-4-methylpentanoate
CID 43231106
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640127
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpentan-2-amine
CID 43775679
1-(4-bromophenyl)-N-[(2-methoxy-5-methylphenyl)methyl]propan-2-amine
CID 43696003
(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]-1,1-dicyclopropylmethanamine
CID 43088568
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,6-difluorophenyl)ethanamine
CID 60946076

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine (CID 43371768) is N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine is COc1ccc(Br)cc1CNC(C)CC(C)C.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is VVUBYKVADOPOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-10(2)7-11(3)16-9-12-8-13(15)5-6-14(12)17-4/h5-6,8,10-11,16H,7,9H2,1-4H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 300.24 g/mol, XLogP of 3.98, 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]-4-methylpentan-2-amine is sourced from PubChem (CID 43371768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).