3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol

C20H28N2O2 — CID 82074473

IUPAC3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C20H28N2O2/c1-4-22(13-9-17-7-11-21-12-8-17)14-10-20(23)19-6-5-18(24-3)15-16(19)2/h5-8,11-12,15,20,23H,4,9-10,13-14H2,1-3H3
InChIKeyXHWDOSVYYFVWHT-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.39
Rot. Bonds9

About 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol

3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol (PubChem CID 82074473) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol
PubChem CID82074473
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol
SMILESCCN(CCc1ccncc1)CCC(O)c1ccc(OC)cc1C
InChIInChI=1S/C20H28N2O2/c1-4-22(13-9-17-7-11-21-12-8-17)14-10-20(23)19-6-5-18(24-3)15-16(19)2/h5-8,11-12,15,20,23H,4,9-10,13-14H2,1-3H3
InChIKeyXHWDOSVYYFVWHT-UHFFFAOYSA-N
XLogP3.39
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82071464
1-(2-fluoro-4-methoxyphenyl)-3-pyridin-4-ylpropan-1-ol
CID 103397475
N-ethyl-1-(4-methoxy-2-methylphenyl)-3-pyridin-4-ylpropan-1-amine
CID 105115672
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074199
1-(3,4-difluorophenyl)-3-[ethyl(2-pyridin-4-ylethyl)amino]propan-1-ol
CID 82074425
1-(4-methoxy-2-methylphenyl)-2-pyridin-4-ylethanamine
CID 65318126
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
N,N-diethyl-3-hydrazinyl-3-(4-methoxy-2-methylphenyl)propan-1-amine
CID 105244209
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 105083019
3-ethylsulfanyl-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 116504533

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol (CID 82074473) is 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol is CCN(CCc1ccncc1)CCC(O)c1ccc(OC)cc1C.
What is the InChIKey of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol?
The InChIKey is XHWDOSVYYFVWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-4-22(13-9-17-7-11-21-12-8-17)14-10-20(23)19-6-5-18(24-3)15-16(19)2/h5-8,11-12,15,20,23H,4,9-10,13-14H2,1-3H3.
What are the key properties of 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol?
3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol has a molecular weight of 328.46 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-pyridin-4-ylethyl)amino]-1-(4-methoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 82074473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).