2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol

C15H25NO — CID 81419088

IUPAC2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-5-15(4,11-17)10-16-13(3)14-8-6-7-12(2)9-14/h6-9,13,16-17H,5,10-11H2,1-4H3/t13-,15?/m1/s1
InChIKeyHGGPKOSELWQWAA-AFYYWNPRSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds6

About 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol

2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol (PubChem CID 81419088) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
PubChem CID81419088
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
SMILESCCC(C)(CO)CN[C@H](C)c1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-5-15(4,11-17)10-16-13(3)14-8-6-7-12(2)9-14/h6-9,13,16-17H,5,10-11H2,1-4H3/t13-,15?/m1/s1
InChIKeyHGGPKOSELWQWAA-AFYYWNPRSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol
CID 81419089
2-N,2-N,2-trimethyl-1-N-[1-(3-methylphenyl)ethyl]propane-1,2-diamine
CID 43767786
2-hydroxy-2-methyl-3-[[(1R)-1-(3-methylphenyl)ethyl]amino]propanoic acid
CID 104644812
[1-(3-methylphenyl)ethylamino]methanolate
CID 163854725
(2R)-1-[[(1R)-1-(3-methylphenyl)ethyl]amino]propan-2-ol
CID 93288092
2-methylidene-N-[(1R)-1-(3-methylphenyl)ethyl]butan-1-amine
CID 81361301
N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460838
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118
5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentan-1-ol
CID 81360778
[4-[1-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]phenyl]urea
CID 81418585
2-methyl-2-[(1-phenylbutylamino)methyl]butan-1-ol
CID 81412987
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The IUPAC name of 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol (CID 81419088) is 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol.
What is the SMILES notation for 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The canonical SMILES for 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol is CCC(C)(CO)CN[C@H](C)c1cccc(C)c1.
What is the InChIKey of 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
The InChIKey is HGGPKOSELWQWAA-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(4,11-17)10-16-13(3)14-8-6-7-12(2)9-14/h6-9,13,16-17H,5,10-11H2,1-4H3/t13-,15?/m1/s1.
What are the key properties of 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol?
2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol has a molecular weight of 235.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]butan-1-ol is sourced from PubChem (CID 81419088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).