N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine

C14H22BrNO — CID 55026913

IUPACN-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO/c1-4-8-16(9-5-2)11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyWKKSARLYBNCFDS-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.08
Rot. Bonds7

About N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine

N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine (PubChem CID 55026913) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
PubChem CID55026913
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC NameN-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO/c1-4-8-16(9-5-2)11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyWKKSARLYBNCFDS-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-methoxyphenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 30983525
N-[(5-bromo-2-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 107870844
3-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]propan-1-ol
CID 115666249
[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
CID 62018767
2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
CID 30981796
N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 60628279
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103
1-(5-bromo-2-methoxyphenyl)-N-(bromomethyl)methanamine
CID 115261862
N-[(5-bromo-2-methoxyphenyl)methyl]-N-(2-chloroethyl)cyclopentanamine
CID 55182777
N-(2-bromoethyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 80680489
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine (CID 55026913) is N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1cc(Br)ccc1OC.
What is the InChIKey of N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine?
The InChIKey is WKKSARLYBNCFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-4-8-16(9-5-2)11-12-10-13(15)6-7-14(12)17-3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine?
N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine has a molecular weight of 300.24 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methoxyphenyl)methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 55026913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).