1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol

C13H20BrNO — CID 104930502

IUPAC1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-4-13(3,16)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,15-16H,4,9H2,1-3H3/t10-,13?/m1/s1
InChIKeyMFSCGTYMCDRRFJ-VUUHIHSGSA-N
MW286.21 g/mol
LogP3.26
Rot. Bonds5

About 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol

1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol (PubChem CID 104930502) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
PubChem CID104930502
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H20BrNO/c1-4-13(3,16)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,15-16H,4,9H2,1-3H3/t10-,13?/m1/s1
InChIKeyMFSCGTYMCDRRFJ-VUUHIHSGSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
N-[1-(4-bromophenyl)ethyl]-2-methoxy-2-methylpropan-1-amine
CID 115664039
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
CID 81359238
1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol
CID 65108419
1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-methylbutan-2-ol
CID 65108517
N-[1-(4-bromophenyl)ethyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 172883235
(2S)-1-[[(1S)-1-(4-bromophenyl)ethyl]amino]propan-2-ol
CID 93082226
4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
1-(dimethylamino)-2-methyl-3-[1-(4-propan-2-ylphenyl)ethylamino]propan-2-ol
CID 103904363
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
2-methyl-1-[1-(4-methylsulfanylphenyl)ethylamino]pentan-2-ol
CID 113246998
2-[1-(4-bromophenyl)ethylamino]-2-ethylpropane-1,3-diol
CID 113354722

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol (CID 104930502) is 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol is CCC(C)(O)CN[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol?
The InChIKey is MFSCGTYMCDRRFJ-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-4-13(3,16)9-15-10(2)11-5-7-12(14)8-6-11/h5-8,10,15-16H,4,9H2,1-3H3/t10-,13?/m1/s1.
What are the key properties of 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol?
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol has a molecular weight of 286.21 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 104930502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).