1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol

C18H31NO2 — CID 65187810

IUPAC1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
SMILESCCOc1ccc(C(CN)C(O)CC(C)C(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-6-21-15-9-7-14(8-10-15)16(12-19)17(20)11-13(2)18(3,4)5/h7-10,13,16-17,20H,6,11-12,19H2,1-5H3
InChIKeyRMDMOBOPFFATJQ-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.56
Rot. Bonds7

About 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol

1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol (PubChem CID 65187810) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol.

Molecular Properties

Compound Name1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
PubChem CID65187810
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol
SMILESCCOc1ccc(C(CN)C(O)CC(C)C(C)(C)C)cc1
InChIInChI=1S/C18H31NO2/c1-6-21-15-9-7-14(8-10-15)16(12-19)17(20)11-13(2)18(3,4)5/h7-10,13,16-17,20H,6,11-12,19H2,1-5H3
InChIKeyRMDMOBOPFFATJQ-UHFFFAOYSA-N
XLogP3.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-cyclopropyl-2-(4-ethoxyphenyl)propan-1-ol
CID 65187865
1-amino-4,4-dimethyl-2-[4-(2-methylpropoxy)phenyl]hexan-3-ol
CID 65189512
1-amino-5-ethoxy-2-[4-(2-methylpropoxy)phenyl]pentan-3-ol
CID 65189462
2-amino-5-(4-ethoxyphenyl)hexan-3-ol
CID 83932254
3-(4-ethoxyphenyl)-4-methylpentanamide
CID 112508295
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-(4-ethoxyphenyl)heptane-1,3-diamine
CID 20848171
(1S,2R)-1-amino-1-(4-ethoxyphenyl)propan-2-ol;hydrochloride
CID 171266991
3-amino-1-(4-ethoxyphenyl)-2-thiophen-2-ylpropan-1-ol
CID 65190142
4-amino-1-cyclopropyl-3-[4-(2-methylpropoxy)phenyl]butan-2-ol
CID 65189752
1-(1-chloro-2,2-dimethylpropyl)-4-ethoxybenzene
CID 63429151
3-amino-1-(2,2-dimethylcyclopentyl)-2-(4-ethoxyphenyl)propan-1-ol
CID 107185333

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol?
The IUPAC name of 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol (CID 65187810) is 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol.
What is the SMILES notation for 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol?
The canonical SMILES for 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol is CCOc1ccc(C(CN)C(O)CC(C)C(C)(C)C)cc1.
What is the InChIKey of 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol?
The InChIKey is RMDMOBOPFFATJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-6-21-15-9-7-14(8-10-15)16(12-19)17(20)11-13(2)18(3,4)5/h7-10,13,16-17,20H,6,11-12,19H2,1-5H3.
What are the key properties of 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol?
1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol has a molecular weight of 293.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-ethoxyphenyl)-5,6,6-trimethylheptan-3-ol is sourced from PubChem (CID 65187810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).