5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

C17H26BrNO — CID 79606980

IUPAC5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCOc1ccc(Br)c(CC(C)=CCCNCC(C)C)c1
InChIInChI=1S/C17H26BrNO/c1-13(2)12-19-9-5-6-14(3)10-15-11-16(20-4)7-8-17(15)18/h6-8,11,13,19H,5,9-10,12H2,1-4H3
InChIKeyFAYFDYBPGDAFHR-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.58
Rot. Bonds8

About 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine

5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79606980) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79606980
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCOc1ccc(Br)c(CC(C)=CCCNCC(C)C)c1
InChIInChI=1S/C17H26BrNO/c1-13(2)12-19-9-5-6-14(3)10-15-11-16(20-4)7-8-17(15)18/h6-8,11,13,19H,5,9-10,12H2,1-4H3
InChIKeyFAYFDYBPGDAFHR-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65326200
O-methyl 2-(2-bromo-5-methoxyphenyl)ethanethioate
CID 146285646
5-(2,5-dichlorophenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79607900
N-[(2-bromo-5-methoxyphenyl)methyl]-3-methylbut-2-en-1-amine
CID 103527878
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-one
CID 65327428
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
(E)-N-[(2-bromo-5-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115751591
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757641
N-[(2-bromo-5-methoxyphenyl)methyl]-3-chlorobutan-1-amine
CID 65327129
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
2-[(2-bromo-5-methoxyphenyl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 65327017

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine (CID 79606980) is 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is COc1ccc(Br)c(CC(C)=CCCNCC(C)C)c1.
What is the InChIKey of 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is FAYFDYBPGDAFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13(2)12-19-9-5-6-14(3)10-15-11-16(20-4)7-8-17(15)18/h6-8,11,13,19H,5,9-10,12H2,1-4H3.
What are the key properties of 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine?
5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 340.31 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79606980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).