3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol

C18H31NO — CID 106348919

IUPAC3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
SMILESCCc1ccc(C(CC)NC(CCO)C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-14-8-10-15(11-9-14)16(7-2)19-17(12-13-20)18(3,4)5/h8-11,16-17,19-20H,6-7,12-13H2,1-5H3
InChIKeyDPTDEONOVJETIK-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.09
Rot. Bonds7

About 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol

3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol (PubChem CID 106348919) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
PubChem CID106348919
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
SMILESCCc1ccc(C(CC)NC(CCO)C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-6-14-8-10-15(11-9-14)16(7-2)19-17(12-13-20)18(3,4)5/h8-11,16-17,19-20H,6-7,12-13H2,1-5H3
InChIKeyDPTDEONOVJETIK-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 104663679
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
CID 106250977
N'-hydroxy-3-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-3-phenylpropanimidamide
CID 106350283
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
3-[1-(3,5-dimethylphenyl)ethylamino]-4,4-dimethylpentan-1-ol
CID 104926046
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
methyl (2S)-2-[1-(4-ethylphenyl)propylamino]propanoate
CID 43723542
2-[1-(4-ethylphenyl)propylamino]-2-methylpentanoic acid
CID 65055646
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol (CID 106348919) is 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol is CCc1ccc(C(CC)NC(CCO)C(C)(C)C)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is DPTDEONOVJETIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-14-8-10-15(11-9-14)16(7-2)19-17(12-13-20)18(3,4)5/h8-11,16-17,19-20H,6-7,12-13H2,1-5H3.
What are the key properties of 3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol?
3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.09, 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)propylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106348919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).