N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine

C14H21Br2NO — CID 63454431

IUPACN-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cc(Br)c(OC)c(Br)c1)C(C)C
InChIInChI=1S/C14H21Br2NO/c1-5-13(9(2)3)17-8-10-6-11(15)14(18-4)12(16)7-10/h6-7,9,13,17H,5,8H2,1-4H3
InChIKeyGOYQFVUQBQFIHW-UHFFFAOYSA-N
MW379.14 g/mol
LogP4.74
Rot. Bonds6

About N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine

N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine (PubChem CID 63454431) has the molecular formula C14H21Br2NO and a molecular weight of 379.14 g/mol. Its IUPAC name is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
PubChem CID63454431
Molecular FormulaC14H21Br2NO
Molecular Weight379.14 g/mol
Exact Mass377.00
IUPAC NameN-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine
SMILESCCC(NCc1cc(Br)c(OC)c(Br)c1)C(C)C
InChIInChI=1S/C14H21Br2NO/c1-5-13(9(2)3)17-8-10-6-11(15)14(18-4)12(16)7-10/h6-7,9,13,17H,5,8H2,1-4H3
InChIKeyGOYQFVUQBQFIHW-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.14
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271022
(2S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]butan-2-amine
CID 40726497
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-3-methylpentan-2-amine
CID 61463534
3-[(3,5-dibromo-4-methoxyphenyl)methylamino]-2-methylbutan-1-ol
CID 113240691
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64569070
1,1-dicyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]methanamine
CID 43768522
N-[(4-bromo-3-methylphenyl)methyl]-2-methylpentan-3-amine
CID 66472030
(1R)-N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81351806
1-(3,5-dibromo-4-methoxyphenyl)-N-ethoxymethanamine
CID 82709759
(2S)-2-[(3-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 40726282
N-[(3-bromo-4-ethoxy-5-methoxyphenyl)methyl]-3-methylbutan-2-amine
CID 43406310
N-[(4-bromo-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 81436611

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The IUPAC name of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine (CID 63454431) is N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine is CCC(NCc1cc(Br)c(OC)c(Br)c1)C(C)C.
What is the InChIKey of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
The InChIKey is GOYQFVUQBQFIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NO/c1-5-13(9(2)3)17-8-10-6-11(15)14(18-4)12(16)7-10/h6-7,9,13,17H,5,8H2,1-4H3.
What are the key properties of N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine?
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine has a molecular weight of 379.14 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dibromo-4-methoxyphenyl)methyl]-2-methylpentan-3-amine is sourced from PubChem (CID 63454431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).