3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol

C16H27NO — CID 81333592

IUPAC3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-6-16(18,7-2)11-17-14(5)15-9-12(3)8-13(4)10-15/h8-10,14,17-18H,6-7,11H2,1-5H3
InChIKeyRLSWWNFJSXXCKZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.51
Rot. Bonds6

About 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol

3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol (PubChem CID 81333592) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
PubChem CID81333592
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)c1cc(C)cc(C)c1
InChIInChI=1S/C16H27NO/c1-6-16(18,7-2)11-17-14(5)15-9-12(3)8-13(4)10-15/h8-10,14,17-18H,6-7,11H2,1-5H3
InChIKeyRLSWWNFJSXXCKZ-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[(2-ethyl-2-hydroxybutyl)amino]ethyl]phenol
CID 65107715
3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
CID 65108247
3-[[1-[4-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
3-[[1-(5-chlorothiophen-3-yl)ethylamino]methyl]pentan-3-ol
CID 102976523
1-[1-(3,5-dimethylphenyl)ethylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784156
(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
CID 97357890
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
3-[[1-(2-methoxy-4-methylphenyl)ethylamino]methyl]pentan-3-ol
CID 65105446
3-[[1-(4-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 107167370
3-[[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]methyl]pentan-3-ol
CID 104579761
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol (CID 81333592) is 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol is CCC(O)(CC)CNC(C)c1cc(C)cc(C)c1.
What is the InChIKey of 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol?
The InChIKey is RLSWWNFJSXXCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(18,7-2)11-17-14(5)15-9-12(3)8-13(4)10-15/h8-10,14,17-18H,6-7,11H2,1-5H3.
What are the key properties of 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol?
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 81333592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).