1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol

C16H25NO4 — CID 63295210

IUPAC1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
SMILESCOc1cc(C(C)NCC(O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-10(17-9-13(18)11-5-6-11)12-7-14(19-2)16(21-4)15(8-12)20-3/h7-8,10-11,13,17-18H,5-6,9H2,1-4H3
InChIKeyHZEQZWPVPNGRBU-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.13
Rot. Bonds8

About 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol

1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol (PubChem CID 63295210) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
PubChem CID63295210
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
SMILESCOc1cc(C(C)NCC(O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C16H25NO4/c1-10(17-9-13(18)11-5-6-11)12-7-14(19-2)16(21-4)15(8-12)20-3/h7-8,10-11,13,17-18H,5-6,9H2,1-4H3
InChIKeyHZEQZWPVPNGRBU-UHFFFAOYSA-N
XLogP2.13
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butan-1-amine
CID 64568461
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
1-cyclopropyl-2-[1-(4-methylphenyl)ethylamino]ethanol
CID 63294182
1-cyclopropyl-2-[1-(2-methoxy-4-methylphenyl)ethylamino]ethanol
CID 55171592
1-cyclopropyl-2-[1-(2,4-dimethoxyphenyl)ethylamino]ethanol
CID 63294530
1-cyclopropyl-2-(1-thiophen-3-ylethylamino)ethanol
CID 63295027
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231
2-methyl-1-[1-(3,4,5-trimethoxyphenyl)ethylamino]propan-2-ol
CID 63239416
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
2-(propan-2-ylamino)-1-(3,4,5-trimethoxyphenyl)ethanol
CID 62773539
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-yn-1-amine
CID 43363384
1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 49475188

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol?
The IUPAC name of 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol (CID 63295210) is 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol.
What is the SMILES notation for 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol?
The canonical SMILES for 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol is COc1cc(C(C)NCC(O)C2CC2)cc(OC)c1OC.
What is the InChIKey of 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol?
The InChIKey is HZEQZWPVPNGRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-10(17-9-13(18)11-5-6-11)12-7-14(19-2)16(21-4)15(8-12)20-3/h7-8,10-11,13,17-18H,5-6,9H2,1-4H3.
What are the key properties of 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol?
1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol has a molecular weight of 295.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol is sourced from PubChem (CID 63295210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).