1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol

C15H24BrNO2 — CID 103784328

IUPAC1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CCOC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO2/c1-4-14(12-5-7-13(16)8-6-12)17-11-15(2,18)9-10-19-3/h5-8,14,17-18H,4,9-11H2,1-3H3
InChIKeyCUIQZWCTXSFZQP-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.28
Rot. Bonds8

About 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol

1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol (PubChem CID 103784328) has the molecular formula C15H24BrNO2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
PubChem CID103784328
Molecular FormulaC15H24BrNO2
Molecular Weight330.27 g/mol
Exact Mass329.10
IUPAC Name1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
SMILESCCC(NCC(C)(O)CCOC)c1ccc(Br)cc1
InChIInChI=1S/C15H24BrNO2/c1-4-14(12-5-7-13(16)8-6-12)17-11-15(2,18)9-10-19-3/h5-8,14,17-18H,4,9-11H2,1-3H3
InChIKeyCUIQZWCTXSFZQP-UHFFFAOYSA-N
XLogP3.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-[1-(4-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 103784224
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
1-[1-(3-bromo-4-fluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784174
1-[1-(5-fluoro-2-pyridinyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103948352
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
1-[1-(3,5-difluorophenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784250
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
1-[1-(4-bromothiophen-2-yl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 107167459
1-[1-(4-chlorophenyl)propylamino]-2-methylbutan-2-ol
CID 65108429
2-(4-bromophenyl)sulfanyl-N-(2-hydroxy-4-methoxy-2-methylbutyl)acetamide
CID 103712702

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol (CID 103784328) is 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol is CCC(NCC(C)(O)CCOC)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
The InChIKey is CUIQZWCTXSFZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2/c1-4-14(12-5-7-13(16)8-6-12)17-11-15(2,18)9-10-19-3/h5-8,14,17-18H,4,9-11H2,1-3H3.
What are the key properties of 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol?
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol has a molecular weight of 330.27 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 103784328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).