4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine

C15H24BrNO — CID 65326200

IUPAC4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(Br)c(CCCCNCC(C)C)c1
InChIInChI=1S/C15H24BrNO/c1-12(2)11-17-9-5-4-6-13-10-14(18-3)7-8-15(13)16/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyCHLYHMQPCBTZIS-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.03
Rot. Bonds8

About 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine

4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 65326200) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID65326200
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCOc1ccc(Br)c(CCCCNCC(C)C)c1
InChIInChI=1S/C15H24BrNO/c1-12(2)11-17-9-5-4-6-13-10-14(18-3)7-8-15(13)16/h7-8,10,12,17H,4-6,9,11H2,1-3H3
InChIKeyCHLYHMQPCBTZIS-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-4-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65303527
5-(2-bromo-5-methoxyphenyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79606980
N-[3-(2-bromo-4-methoxyphenoxy)propyl]-2-methylpropan-1-amine
CID 104708357
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
6-(5-bromo-2-methoxyphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65308860
4-(2-bromo-4-methoxyphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 104708469
6-(4-bromo-2,5-difluorophenyl)-N-(2-methylpropyl)hexan-1-amine
CID 65306559
3-(2-bromo-5-methoxyphenyl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 65327170
N-[(2-bromo-5-methoxyphenyl)methyl]-N',N'-dimethylbutane-1,4-diamine
CID 65324170
methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine (CID 65326200) is 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine is COc1ccc(Br)c(CCCCNCC(C)C)c1.
What is the InChIKey of 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is CHLYHMQPCBTZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-12(2)11-17-9-5-4-6-13-10-14(18-3)7-8-15(13)16/h7-8,10,12,17H,4-6,9,11H2,1-3H3.
What are the key properties of 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine?
4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-methoxyphenyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 65326200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).