2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol

C17H27BrN2O — CID 102871015

IUPAC2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
SMILESCCNC(CCN(CCO)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O/c1-2-19-17(14-6-8-15(18)9-7-14)10-11-20(12-13-21)16-4-3-5-16/h6-9,16-17,19,21H,2-5,10-13H2,1H3
InChIKeyJVVSGIOWSQKJRQ-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.34
Rot. Bonds9

About 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol

2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol (PubChem CID 102871015) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
PubChem CID102871015
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol
SMILESCCNC(CCN(CCO)C1CCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H27BrN2O/c1-2-19-17(14-6-8-15(18)9-7-14)10-11-20(12-13-21)16-4-3-5-16/h6-9,16-17,19,21H,2-5,10-13H2,1H3
InChIKeyJVVSGIOWSQKJRQ-UHFFFAOYSA-N
XLogP3.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N'-cyclopropyl-N-ethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63493312
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-(2,2-difluoroethyl)amino]ethanol
CID 107486486
1-(4-bromophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 55098939
N'-cyclopropyl-N-ethyl-1-phenyl-N'-propylpropane-1,3-diamine
CID 62612116
2-[cyclopropyl-[3-(methylamino)-3-(4-methylphenyl)propyl]amino]ethanol
CID 55099042
2-[[3-(4-bromophenyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62618754
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
1-(4-cyclobutylphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 116506399
2-[cyclobutyl-[3-(3,5-difluorophenyl)-3-(methylamino)propyl]amino]ethanol
CID 102870901
1-[3-(4-bromophenyl)-3-(ethylamino)propyl]piperidin-3-ol
CID 62618442
1-(3-chlorophenyl)-N'-cyclopropyl-N-ethyl-N'-propylpropane-1,3-diamine
CID 62628710
2-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62643636

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol (CID 102871015) is 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol is CCNC(CCN(CCO)C1CCC1)c1ccc(Br)cc1.
What is the InChIKey of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol?
The InChIKey is JVVSGIOWSQKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-2-19-17(14-6-8-15(18)9-7-14)10-11-20(12-13-21)16-4-3-5-16/h6-9,16-17,19,21H,2-5,10-13H2,1H3.
What are the key properties of 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol?
2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol has a molecular weight of 355.32 g/mol, XLogP of 3.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-bromophenyl)-3-(ethylamino)propyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102871015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).