3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol

C17H27BrN2O — CID 102863395

IUPAC3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
SMILESCCNC(C)c1ccc(Br)cc1N(CCCO)C1CCC1
InChIInChI=1S/C17H27BrN2O/c1-3-19-13(2)16-9-8-14(18)12-17(16)20(10-5-11-21)15-6-4-7-15/h8-9,12-13,15,19,21H,3-7,10-11H2,1-2H3
InChIKeyHUWSNDCMKTXIPU-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.86
Rot. Bonds8

About 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol

3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol (PubChem CID 102863395) has the molecular formula C17H27BrN2O and a molecular weight of 355.32 g/mol. Its IUPAC name is 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol.

Molecular Properties

Compound Name3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
PubChem CID102863395
Molecular FormulaC17H27BrN2O
Molecular Weight355.32 g/mol
Exact Mass354.13
IUPAC Name3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol
SMILESCCNC(C)c1ccc(Br)cc1N(CCCO)C1CCC1
InChIInChI=1S/C17H27BrN2O/c1-3-19-13(2)16-9-8-14(18)12-17(16)20(10-5-11-21)15-6-4-7-15/h8-9,12-13,15,19,21H,3-7,10-11H2,1-2H3
InChIKeyHUWSNDCMKTXIPU-UHFFFAOYSA-N
XLogP3.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propylanilino]ethanol
CID 82971735
5-bromo-N-cyclopentyl-N-ethyl-2-[1-(propylamino)ethyl]aniline
CID 82955006
2-[5-bromo-2-[1-(ethylamino)ethyl]-N-propan-2-ylanilino]ethanol
CID 82968775
4-bromo-N-cyclohexyl-N-ethyl-2-[1-(ethylamino)ethyl]aniline
CID 82955374
3-[5-bromo-N-cyclobutyl-2-(propylaminomethyl)anilino]propan-1-ol
CID 102864710
2-[N-cyclobutyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 102863558
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
N-[5-bromo-2-[1-(ethylamino)ethyl]phenyl]-N-methyloxan-4-amine
CID 82971887
2-[4-bromo-N-cyclopropyl-2-[1-(propylamino)ethyl]anilino]ethanol
CID 82967927
2-[5-bromo-N-cyclobutyl-2-(ethylaminomethyl)anilino]ethanol
CID 102864917
3-[2-bromo-N-cyclobutyl-4-[1-(methylamino)ethyl]anilino]propan-1-ol
CID 102863360
4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-2-[1-(ethylamino)ethyl]aniline
CID 82968101

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol?
The IUPAC name of 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol (CID 102863395) is 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol.
What is the SMILES notation for 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol?
The canonical SMILES for 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol is CCNC(C)c1ccc(Br)cc1N(CCCO)C1CCC1.
What is the InChIKey of 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol?
The InChIKey is HUWSNDCMKTXIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O/c1-3-19-13(2)16-9-8-14(18)12-17(16)20(10-5-11-21)15-6-4-7-15/h8-9,12-13,15,19,21H,3-7,10-11H2,1-2H3.
What are the key properties of 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol?
3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol has a molecular weight of 355.32 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-N-cyclobutyl-2-[1-(ethylamino)ethyl]anilino]propan-1-ol is sourced from PubChem (CID 102863395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).