3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol

C14H24N2O2 — CID 116911710

IUPAC3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
SMILESCCOc1ccc(C(C(O)CN)N(C)C)cc1C
InChIInChI=1S/C14H24N2O2/c1-5-18-13-7-6-11(8-10(13)2)14(16(3)4)12(17)9-15/h6-8,12,14,17H,5,9,15H2,1-4H3
InChIKeyBERVPRRGNWEPKD-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.32
Rot. Bonds6

About 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol

3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol (PubChem CID 116911710) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
PubChem CID116911710
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol
SMILESCCOc1ccc(C(C(O)CN)N(C)C)cc1C
InChIInChI=1S/C14H24N2O2/c1-5-18-13-7-6-11(8-10(13)2)14(16(3)4)12(17)9-15/h6-8,12,14,17H,5,9,15H2,1-4H3
InChIKeyBERVPRRGNWEPKD-UHFFFAOYSA-N
XLogP1.32
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(dimethylamino)-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 116911674
1,3-diamino-1-(4-ethoxy-3-methylphenyl)propan-2-ol
CID 116942528
1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)-2-methylpropan-2-ol
CID 116911342
ethyl 2-amino-2-(4-ethoxy-3-methylphenyl)acetate
CID 116947153
3-[dimethylamino-(4-ethoxy-3-methylphenyl)methyl]cyclobutan-1-amine
CID 116907306
1-(4-ethoxy-3-methylphenyl)-N,N',N'-trimethylmethanediamine
CID 116909246
2-chloro-2-(4-ethoxy-3-methylphenyl)acetic acid
CID 82288310
1-(4-ethoxy-3-methylphenyl)ethanamine
CID 15594750
1-(4-ethoxy-3-methylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905584
1-(4-ethoxy-3-methylphenyl)propane-1,3-diamine
CID 116932779
3-amino-1-(3,4-dichlorophenyl)-1-(dimethylamino)propan-2-ol
CID 116911758
2,4-diamino-4-(4-ethoxy-3-methylphenyl)butanoic acid
CID 116942673

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol?
The IUPAC name of 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol (CID 116911710) is 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol is CCOc1ccc(C(C(O)CN)N(C)C)cc1C.
What is the InChIKey of 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol?
The InChIKey is BERVPRRGNWEPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-18-13-7-6-11(8-10(13)2)14(16(3)4)12(17)9-15/h6-8,12,14,17H,5,9,15H2,1-4H3.
What are the key properties of 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol?
3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(dimethylamino)-1-(4-ethoxy-3-methylphenyl)propan-2-ol is sourced from PubChem (CID 116911710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).