1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine

C14H22BrNO2 — CID 65092395

IUPAC1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine
SMILESCNC(CCCOC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO2/c1-16-13(5-4-8-17-2)10-11-9-12(15)6-7-14(11)18-3/h6-7,9,13,16H,4-5,8,10H2,1-3H3
InChIKeyHPWKOZJOCAJXMK-UHFFFAOYSA-N
MW316.24 g/mol
LogP3.01
Rot. Bonds8

About 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine

1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine (PubChem CID 65092395) has the molecular formula C14H22BrNO2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine
PubChem CID65092395
Molecular FormulaC14H22BrNO2
Molecular Weight316.24 g/mol
Exact Mass315.08
IUPAC Name1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine
SMILESCNC(CCCOC)Cc1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO2/c1-16-13(5-4-8-17-2)10-11-9-12(15)6-7-14(11)18-3/h6-7,9,13,16H,4-5,8,10H2,1-3H3
InChIKeyHPWKOZJOCAJXMK-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-2-methoxyphenyl)-1-N,1-N,3-N-trimethylbutane-1,3-diamine
CID 115346330
1-(5-bromo-2-methoxyphenyl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 62693196
1-(5-bromo-2-methoxyphenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 115817547
1-(5-bromo-2-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 115816968
1-(5-bromo-2-methoxyphenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 116661454
1-(5-bromo-2-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927579
1-(5-chloro-2-methoxyphenyl)-N-methylnonan-2-amine
CID 115845070
2-(5-bromo-2-methoxyphenyl)-N-methyl-1-pyrimidin-4-ylethanamine
CID 63987280
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
CID 105269705
2-(5-bromo-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 63414513
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine (CID 65092395) is 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine is CNC(CCCOC)Cc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine?
The InChIKey is HPWKOZJOCAJXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO2/c1-16-13(5-4-8-17-2)10-11-9-12(15)6-7-14(11)18-3/h6-7,9,13,16H,4-5,8,10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine?
1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine has a molecular weight of 316.24 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-5-methoxy-N-methylpentan-2-amine is sourced from PubChem (CID 65092395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).