1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine

C13H20BrNO — CID 60787472

IUPAC1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OC)cc1Br
InChIInChI=1S/C13H20BrNO/c1-4-8-15-13(5-2)11-7-6-10(16-3)9-12(11)14/h6-7,9,13,15H,4-5,8H2,1-3H3
InChIKeyJANORHJBOWVGRE-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.91
Rot. Bonds6

About 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine

1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine (PubChem CID 60787472) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
PubChem CID60787472
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(OC)cc1Br
InChIInChI=1S/C13H20BrNO/c1-4-8-15-13(5-2)11-7-6-10(16-3)9-12(11)14/h6-7,9,13,15H,4-5,8H2,1-3H3
InChIKeyJANORHJBOWVGRE-UHFFFAOYSA-N
XLogP3.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2-bromo-4-methoxyphenyl)-2-methyl-N-propylpentan-1-amine
CID 54920126
1-(2-bromo-4-methoxyphenyl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 104518757
N-[(2-bromo-4-methoxyphenyl)-(furan-2-yl)methyl]propan-1-amine
CID 54920080
1-(5-bromo-2-methoxy-4-methylphenyl)-N-propylpropan-1-amine
CID 65433156
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
1-(2-bromo-5-methoxyphenyl)-N-propylhex-5-en-1-amine
CID 105153151
N-[1-(2-bromo-5-methoxyphenyl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105139266
1-(2,5-dimethoxyphenyl)-3-ethyl-N-propylpentan-1-amine
CID 105028317
1-(2-methoxyphenyl)-N-propylpropan-1-amine
CID 43279174
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(2-fluoro-4-methoxyphenyl)-4-methyl-N-propylpentan-1-amine
CID 43561596

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine (CID 60787472) is 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine?
The InChIKey is JANORHJBOWVGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-8-15-13(5-2)11-7-6-10(16-3)9-12(11)14/h6-7,9,13,15H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine?
1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine has a molecular weight of 286.21 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 60787472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).