5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine

C15H24BrNO — CID 65433204

IUPAC5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1cc(Br)c(C)cc1OC
InChIInChI=1S/C15H24BrNO/c1-11(7-8-17-3)5-6-13-10-14(16)12(2)9-15(13)18-4/h9-11,17H,5-8H2,1-4H3
InChIKeyUAEWVPSCMARDLB-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.94
Rot. Bonds7

About 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine

5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine (PubChem CID 65433204) has the molecular formula C15H24BrNO and a molecular weight of 314.27 g/mol. Its IUPAC name is 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
PubChem CID65433204
Molecular FormulaC15H24BrNO
Molecular Weight314.27 g/mol
Exact Mass313.10
IUPAC Name5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine
SMILESCNCCC(C)CCc1cc(Br)c(C)cc1OC
InChIInChI=1S/C15H24BrNO/c1-11(7-8-17-3)5-6-13-10-14(16)12(2)9-15(13)18-4/h9-11,17H,5-8H2,1-4H3
InChIKeyUAEWVPSCMARDLB-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-methoxy-5-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303647
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
4-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methylpropyl)butan-1-amine
CID 65433200
5-(2,5-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 65304462
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
N-[5-(2,5-dibromo-4-methylphenyl)-3-methylpentyl]cyclopropanamine
CID 81470336
4-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 65433588
5-(5-bromo-2-methoxy-4-methylphenyl)-N-(2-methoxyethyl)pentan-1-amine
CID 65432429
N-[4-(5-bromo-2-methoxy-4-methylphenyl)butyl]cyclopropanamine
CID 65434549
2-(5-fluoro-2-methoxy-4-methylphenyl)-N-methylethanamine
CID 84667680
2-(4-bromo-5-methoxy-2-methylphenyl)-N-methylethanamine
CID 84805815
5-(2,5-dimethoxyphenyl)-N-ethyl-3-methylpentan-1-amine
CID 65304513

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine (CID 65433204) is 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine is CNCCC(C)CCc1cc(Br)c(C)cc1OC.
What is the InChIKey of 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine?
The InChIKey is UAEWVPSCMARDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO/c1-11(7-8-17-3)5-6-13-10-14(16)12(2)9-15(13)18-4/h9-11,17H,5-8H2,1-4H3.
What are the key properties of 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine?
5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine has a molecular weight of 314.27 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methoxy-4-methylphenyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 65433204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).