1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol

C14H22BrNO — CID 55050060

IUPAC1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
SMILESCCCCC(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-4-6-11(2)16-10-14(17)12-7-5-8-13(15)9-12/h5,7-9,11,14,16-17H,3-4,6,10H2,1-2H3
InChIKeyYYIOTYAVWKNRHA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.65
Rot. Bonds7

About 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol

1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol (PubChem CID 55050060) has the molecular formula C14H22BrNO and a molecular weight of 300.24 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
PubChem CID55050060
Molecular FormulaC14H22BrNO
Molecular Weight300.24 g/mol
Exact Mass299.09
IUPAC Name1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol
SMILESCCCCC(C)NCC(O)c1cccc(Br)c1
InChIInChI=1S/C14H22BrNO/c1-3-4-6-11(2)16-10-14(17)12-7-5-8-13(15)9-12/h5,7-9,11,14,16-17H,3-4,6,10H2,1-2H3
InChIKeyYYIOTYAVWKNRHA-UHFFFAOYSA-N
XLogP3.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(heptan-2-ylamino)ethanol
CID 60734300
3-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butanamide
CID 115894656
2-(nonan-2-ylamino)-1-phenylethanol
CID 43499169
1-(3-bromophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867516
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
1-(3-bromophenyl)-2-[1-(4-bromophenyl)ethylamino]ethanol
CID 60734196
1-(3-bromophenyl)butan-1-ol
CID 18417756
1-(3-bromophenyl)-2-[[(1R)-1-(2-methylphenyl)ethyl]amino]ethanol
CID 81375499
1-(3-bromophenyl)-2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]ethanol
CID 61477128
(1R)-1-(3-bromophenyl)-2-(methylamino)ethanol
CID 39247726
4-[[2-(3-bromophenyl)-2-hydroxyethyl]amino]butan-2-ol
CID 64911419
1-(3-methoxyphenyl)-2-(pentan-2-ylamino)ethanol
CID 78967072

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol?
The IUPAC name of 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol (CID 55050060) is 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol is CCCCC(C)NCC(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol?
The InChIKey is YYIOTYAVWKNRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO/c1-3-4-6-11(2)16-10-14(17)12-7-5-8-13(15)9-12/h5,7-9,11,14,16-17H,3-4,6,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol?
1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol has a molecular weight of 300.24 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(hexan-2-ylamino)ethanol is sourced from PubChem (CID 55050060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).