5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine

C17H28BrNO — CID 65304156

IUPAC5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
SMILESCOc1ccc(CCC(C)CCNC(C)(C)C)cc1Br
InChIInChI=1S/C17H28BrNO/c1-13(10-11-19-17(2,3)4)6-7-14-8-9-16(20-5)15(18)12-14/h8-9,12-13,19H,6-7,10-11H2,1-5H3
InChIKeyAPUGTAZQJYBUST-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.80
Rot. Bonds7

About 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine

5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine (PubChem CID 65304156) has the molecular formula C17H28BrNO and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
PubChem CID65304156
Molecular FormulaC17H28BrNO
Molecular Weight342.32 g/mol
Exact Mass341.14
IUPAC Name5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
SMILESCOc1ccc(CCC(C)CCNC(C)(C)C)cc1Br
InChIInChI=1S/C17H28BrNO/c1-13(10-11-19-17(2,3)4)6-7-14-8-9-16(20-5)15(18)12-14/h8-9,12-13,19H,6-7,10-11H2,1-5H3
InChIKeyAPUGTAZQJYBUST-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromo-4-ethoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine
CID 104662928
N-tert-butyl-5-(3,4-dimethylphenyl)-3-methylpentan-1-amine
CID 65304012
5-(3,4-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 65304508
4-(3-bromo-4-methoxyphenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81018947
2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-2-methylpropan-1-ol
CID 115133534
N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-amine
CID 29223820
1-(3-bromo-4-methoxyphenyl)-N-ethyl-4-methylpentan-3-amine
CID 54971213
5-(4-methoxy-3-methylphenyl)-N,3-dimethylpentan-1-amine
CID 65303977
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
CID 83926163
5-(3-bromo-4-methoxyphenyl)-N-ethylpentan-2-amine
CID 64504008
N-[5-(3-bromo-4-ethoxyphenyl)-3-methylpentyl]cyclopropanamine
CID 104662912
N-[(3-bromo-4-methoxyphenyl)methyl]-5-chloro-4-methylpentan-1-amine
CID 106153556

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine?
The IUPAC name of 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine (CID 65304156) is 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine.
What is the SMILES notation for 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine?
The canonical SMILES for 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine is COc1ccc(CCC(C)CCNC(C)(C)C)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine?
The InChIKey is APUGTAZQJYBUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrNO/c1-13(10-11-19-17(2,3)4)6-7-14-8-9-16(20-5)15(18)12-14/h8-9,12-13,19H,6-7,10-11H2,1-5H3.
What are the key properties of 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine?
5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine has a molecular weight of 342.32 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methoxyphenyl)-N-tert-butyl-3-methylpentan-1-amine is sourced from PubChem (CID 65304156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).