4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol

C14H23NO2 — CID 64802692

IUPAC4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO2/c1-4-15-13(10-16)5-6-17-14-8-11(2)7-12(3)9-14/h7-9,13,15-16H,4-6,10H2,1-3H3
InChIKeyRIJNLOQECHIOIT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.04
Rot. Bonds7

About 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol

4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol (PubChem CID 64802692) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol
PubChem CID64802692
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCOc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO2/c1-4-15-13(10-16)5-6-17-14-8-11(2)7-12(3)9-14/h7-9,13,15-16H,4-6,10H2,1-3H3
InChIKeyRIJNLOQECHIOIT-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,5-dimethylphenoxy)-N-ethylhexan-3-amine
CID 106800724
4-(3,5-dimethylphenoxy)-3-(ethylamino)butan-1-ol
CID 64897803
4-(3,5-dimethylphenoxy)-2-(ethylamino)butanoic acid
CID 55143577
2-(ethylamino)-4-(2-methyl-5-propan-2-ylphenoxy)butan-1-ol
CID 64810580
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
4-(2,4-difluorophenoxy)-2-(ethylamino)butan-1-ol
CID 64804927
methyl 2-amino-4-(3,5-dimethylphenoxy)butanoate
CID 63041209
3-(3,5-dimethylphenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120654017
3-(3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 28878857
2-(ethylamino)-4-naphthalen-1-yloxybutan-1-ol
CID 22754998
1-amino-5-(3,5-dimethylphenoxy)pentan-3-ol
CID 112508033
1-(3-ethoxypropoxy)-3,5-dimethylbenzene
CID 65202414

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol (CID 64802692) is 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol is CCNC(CO)CCOc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol?
The InChIKey is RIJNLOQECHIOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-4-15-13(10-16)5-6-17-14-8-11(2)7-12(3)9-14/h7-9,13,15-16H,4-6,10H2,1-3H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol?
4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol has a molecular weight of 237.34 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64802692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).