2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol

C16H25NO2 — CID 63954434

IUPAC2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)CN(CC)CC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-17(11-13-5-6-13)12-16(18)14-7-9-15(10-8-14)19-4-2/h7-10,13,16,18H,3-6,11-12H2,1-2H3
InChIKeyNKKPSYLMWLVDQP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.85
Rot. Bonds8

About 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol

2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol (PubChem CID 63954434) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
PubChem CID63954434
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)CN(CC)CC2CC2)cc1
InChIInChI=1S/C16H25NO2/c1-3-17(11-13-5-6-13)12-16(18)14-7-9-15(10-8-14)19-4-2/h7-10,13,16,18H,3-6,11-12H2,1-2H3
InChIKeyNKKPSYLMWLVDQP-UHFFFAOYSA-N
XLogP2.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
2-cyclopentyl-1-(4-ethoxyphenyl)ethanol
CID 61101248
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
2-[bis(cyclopropylmethyl)amino]-1-(4-methylsulfonylphenyl)ethanol
CID 111382017
3-[cyclopropylmethyl(ethyl)amino]-1-(4-methylphenyl)propan-1-ol
CID 63940446
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
N'-(cyclopropylmethyl)-N'-ethyl-N-methyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 63956587
3-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]-methylamino]propanoic acid
CID 82216131

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol (CID 63954434) is 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol is CCOc1ccc(C(O)CN(CC)CC2CC2)cc1.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol?
The InChIKey is NKKPSYLMWLVDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17(11-13-5-6-13)12-16(18)14-7-9-15(10-8-14)19-4-2/h7-10,13,16,18H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol?
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol is sourced from PubChem (CID 63954434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).