1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol

C15H25BrN2O — CID 61477128

IUPAC1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
SMILESCC(C)C(CN(C)C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-11(2)14(10-18(3)4)17-9-15(19)12-6-5-7-13(16)8-12/h5-8,11,14-15,17,19H,9-10H2,1-4H3
InChIKeyRFFGBYPEHUXHGR-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.66
Rot. Bonds7

About 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol

1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol (PubChem CID 61477128) has the molecular formula C15H25BrN2O and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
PubChem CID61477128
Molecular FormulaC15H25BrN2O
Molecular Weight329.28 g/mol
Exact Mass328.12
IUPAC Name1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
SMILESCC(C)C(CN(C)C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C15H25BrN2O/c1-11(2)14(10-18(3)4)17-9-15(19)12-6-5-7-13(16)8-12/h5-8,11,14-15,17,19H,9-10H2,1-4H3
InChIKeyRFFGBYPEHUXHGR-UHFFFAOYSA-N
XLogP2.66
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-N-[1-(3-bromophenyl)propyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 61477187
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
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CID 55050060
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butanamide
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(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromophenyl)-3-[1-(dimethylamino)propan-2-yl-ethylamino]propan-1-ol
CID 103191448
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
1-(3-bromophenyl)-2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]ethanol
CID 81354599
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol (CID 61477128) is 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol is CC(C)C(CN(C)C)NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol?
The InChIKey is RFFGBYPEHUXHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O/c1-11(2)14(10-18(3)4)17-9-15(19)12-6-5-7-13(16)8-12/h5-8,11,14-15,17,19H,9-10H2,1-4H3.
What are the key properties of 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol?
1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol has a molecular weight of 329.28 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol is sourced from PubChem (CID 61477128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).