3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol

C16H27NO — CID 65108247

IUPAC3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
SMILESCCc1ccc(C(C)NCC(O)(CC)CC)cc1
InChIInChI=1S/C16H27NO/c1-5-14-8-10-15(11-9-14)13(4)17-12-16(18,6-2)7-3/h8-11,13,17-18H,5-7,12H2,1-4H3
InChIKeyRBWUUKBXEIKZSA-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.45
Rot. Bonds7

About 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol

3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol (PubChem CID 65108247) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
PubChem CID65108247
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol
SMILESCCc1ccc(C(C)NCC(O)(CC)CC)cc1
InChIInChI=1S/C16H27NO/c1-5-14-8-10-15(11-9-14)13(4)17-12-16(18,6-2)7-3/h8-11,13,17-18H,5-7,12H2,1-4H3
InChIKeyRBWUUKBXEIKZSA-UHFFFAOYSA-N
XLogP3.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.45
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-(dimethylamino)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107765
3-[(1-pyridin-4-ylethylamino)methyl]pentan-3-ol
CID 65107876
3-[[1-(3,5-dimethylphenyl)ethylamino]methyl]pentan-3-ol
CID 81333592
N'-[1-(4-ethylphenyl)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43192150
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-(4-bromophenyl)-N-[(4-ethylphenyl)methyl]ethanamine
CID 60658167
1-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-methylbutan-2-ol
CID 104930502
2-methyl-1-[1-[4-(2-methylpropyl)phenyl]ethylamino]propan-2-ol
CID 63239146
3-[[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]methyl]pentan-3-ol
CID 65107832
(1R)-N-[(4-ethylphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81350057
N-[1-(4-ethylphenyl)ethyl]pentan-1-amine
CID 43080427

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol (CID 65108247) is 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol is CCc1ccc(C(C)NCC(O)(CC)CC)cc1.
What is the InChIKey of 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol?
The InChIKey is RBWUUKBXEIKZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-14-8-10-15(11-9-14)13(4)17-12-16(18,6-2)7-3/h8-11,13,17-18H,5-7,12H2,1-4H3.
What are the key properties of 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol?
3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol has a molecular weight of 249.40 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-ethylphenyl)ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65108247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).