2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol

C25H31N3O3 — CID 165405809

IUPAC2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncccc2[C@@H](C)NCCO)cc1
InChIInChI=1S/C25H31N3O3/c1-19(26-15-16-29)24-5-4-14-27-25(24)28(17-20-6-10-22(30-2)11-7-20)18-21-8-12-23(31-3)13-9-21/h4-14,19,26,29H,15-18H2,1-3H3/t19-/m1/s1
InChIKeyVBJRFVUDHOXNGX-LJQANCHMSA-N
MW421.54 g/mol
LogP3.95
Rot. Bonds11

About 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol

2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol (PubChem CID 165405809) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol
PubChem CID165405809
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2ncccc2[C@@H](C)NCCO)cc1
InChIInChI=1S/C25H31N3O3/c1-19(26-15-16-29)24-5-4-14-27-25(24)28(17-20-6-10-22(30-2)11-7-20)18-21-8-12-23(31-3)13-9-21/h4-14,19,26,29H,15-18H2,1-3H3/t19-/m1/s1
InChIKeyVBJRFVUDHOXNGX-LJQANCHMSA-N
XLogP3.95
TPSA66.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(4-methoxyphenyl)methyl-methylamino]-3-pyridinyl]methanol
CID 55134024
(S)-N-[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]-4,4,4-trifluorobutyl]-2-methylpropane-2-sulfinamide
CID 176664287
2-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]amino]ethanol
CID 165405702
2-[1-[3-[(4-methoxyphenyl)methylamino]pyrazin-2-yl]ethylamino]ethanol
CID 174189613
N,N-bis[(4-methoxyphenyl)methyl]-3-prop-1-en-2-ylpyrazin-2-amine
CID 175757168
[4-[[(4-methoxyphenyl)methyl-pyridin-3-ylamino]methyl]phenyl]methanol
CID 170025838
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62294438
(NZ,R)-N-[1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]-2,2-difluoroethylidene]-2-methylpropane-2-sulfinamide
CID 178027392
1-[methyl-[3-[1-(propylamino)ethyl]-2-pyridinyl]amino]propan-2-ol
CID 114056115
N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-(1-naphthalen-1-ylethylamino)propanamide
CID 22327602
N-[(3,4-dichlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]-3-[[(1R)-1-naphthalen-1-ylethyl]amino]propanamide
CID 59516668
N-[(4-methoxyphenyl)methyl]-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 46993924

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol?
The IUPAC name of 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol (CID 165405809) is 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol?
The canonical SMILES for 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol is COc1ccc(CN(Cc2ccc(OC)cc2)c2ncccc2[C@@H](C)NCCO)cc1.
What is the InChIKey of 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol?
The InChIKey is VBJRFVUDHOXNGX-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19(26-15-16-29)24-5-4-14-27-25(24)28(17-20-6-10-22(30-2)11-7-20)18-21-8-12-23(31-3)13-9-21/h4-14,19,26,29H,15-18H2,1-3H3/t19-/m1/s1.
What are the key properties of 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol?
2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol has a molecular weight of 421.54 g/mol, XLogP of 3.95, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-pyridinyl]ethyl]amino]ethanol is sourced from PubChem (CID 165405809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).