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

C17H29NO — CID 103787569

IUPAC4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
SMILESCCc1ccc(C(CC)NCC(C)(C)CCO)cc1
InChIInChI=1S/C17H29NO/c1-5-14-7-9-15(10-8-14)16(6-2)18-13-17(3,4)11-12-19/h7-10,16,18-19H,5-6,11-13H2,1-4H3
InChIKeyFGSUWWAOYRGHMM-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.70
Rot. Bonds8

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

4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol (PubChem CID 103787569) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
PubChem CID103787569
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
SMILESCCc1ccc(C(CC)NCC(C)(C)CCO)cc1
InChIInChI=1S/C17H29NO/c1-5-14-7-9-15(10-8-14)16(6-2)18-13-17(3,4)11-12-19/h7-10,16,18-19H,5-6,11-13H2,1-4H3
InChIKeyFGSUWWAOYRGHMM-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[[1-(4-ethylphenyl)propylamino]methyl]butan-1-ol
CID 106250977
3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
2,2-dimethyl-3-[1-(4-methylphenyl)propylamino]propan-1-ol
CID 81411321
3,3-dimethyl-4-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 103787561
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
CID 103921676
3-[1-(4-ethylphenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 106348919
N-[1-(4-ethylphenyl)propyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526466
4-[1-[(4-ethylphenyl)methylamino]propyl]phenol
CID 106899400
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
3,3-dimethyl-4-[1-(4-methylphenyl)ethylamino]butan-1-ol
CID 103787637
3-[1-(4-ethylphenyl)propylamino]propanoic acid
CID 43310130

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol (CID 103787569) is 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol is CCc1ccc(C(CC)NCC(C)(C)CCO)cc1.
What is the InChIKey of 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol?
The InChIKey is FGSUWWAOYRGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-14-7-9-15(10-8-14)16(6-2)18-13-17(3,4)11-12-19/h7-10,16,18-19H,5-6,11-13H2,1-4H3.
What are the key properties of 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol?
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol has a molecular weight of 263.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103787569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).