3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol

C18H31NO — CID 106348700

IUPAC3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCCCCc1ccc(C(C)NC(CCO)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-6-7-16-8-10-17(11-9-16)15(4)19-18(12-13-20)14(2)3/h8-11,14-15,18-20H,5-7,12-13H2,1-4H3
InChIKeyYFPNOPPEAUQHLY-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.09
Rot. Bonds9

About 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol

3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol (PubChem CID 106348700) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
PubChem CID106348700
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
SMILESCCCCc1ccc(C(C)NC(CCO)C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-5-6-7-16-8-10-17(11-9-16)15(4)19-18(12-13-20)14(2)3/h8-11,14-15,18-20H,5-7,12-13H2,1-4H3
InChIKeyYFPNOPPEAUQHLY-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
4-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzonitrile
CID 103921571
5-[1-[(1-hydroxy-4-methylpentan-3-yl)amino]ethyl]benzene-1,3-diol
CID 106348788
3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 103717148
1-[1-(4-butylphenyl)ethylamino]propan-2-ol
CID 43499262
3-[1-(4-butylphenyl)ethylamino]-2,2-dimethylpropan-1-ol
CID 115359024
1-[1-(4-butylphenyl)ethylamino]pentan-3-ol
CID 115729098
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
3-methyl-2-[1-(4-propan-2-ylphenyl)ethylamino]butan-1-ol
CID 79254457
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644
3-[1-(4-butylphenyl)ethylamino]pentanenitrile
CID 62648001

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol (CID 106348700) is 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol is CCCCc1ccc(C(C)NC(CCO)C(C)C)cc1.
What is the InChIKey of 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol?
The InChIKey is YFPNOPPEAUQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-5-6-7-16-8-10-17(11-9-16)15(4)19-18(12-13-20)14(2)3/h8-11,14-15,18-20H,5-7,12-13H2,1-4H3.
What are the key properties of 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol?
3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).