1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol

C25H29NO3 — CID 18278682

IUPAC1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESCc1ccc(OCCN(C)CC(O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H29NO3/c1-20-8-12-24(13-9-20)28-17-16-26(2)18-23(27)19-29-25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,23,27H,16-19H2,1-2H3
InChIKeyDEBHLCMYWJYYDJ-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.41
Rot. Bonds10

About 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol

1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol (PubChem CID 18278682) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
PubChem CID18278682
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol
SMILESCc1ccc(OCCN(C)CC(O)COc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H29NO3/c1-20-8-12-24(13-9-20)28-17-16-26(2)18-23(27)19-29-25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,23,27H,16-19H2,1-2H3
InChIKeyDEBHLCMYWJYYDJ-UHFFFAOYSA-N
XLogP4.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxy-3-methoxypropoxy)butoxy]-3-[methyl-[2-(4-methylphenoxy)ethyl]amino]propan-2-ol
CID 156630032
1-[2-hydroxyethyl(methyl)amino]-3-[4-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]phenoxy]propan-2-ol
CID 3638612
1-(2-chlorophenoxy)-3-[2-(4-chlorophenoxy)ethyl-methylamino]propan-2-ol
CID 112768273
3-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenoxy]propane-1,2-diol
CID 59739341
ethyl 4-[2-hydroxy-3-[methyl(3-phenoxypropyl)amino]propoxy]benzoate
CID 55648671
1-[2-(4-aminophenoxy)ethyl-methylamino]-3-methoxypropan-2-ol
CID 54994996
(2R)-1-[methyl-[2-(N-methylanilino)ethyl]amino]-3-phenoxypropan-2-ol
CID 98787204
4-[(2S)-3-[2-(4-bromophenoxy)ethyl-methylamino]-2-hydroxypropoxy]benzonitrile
CID 9166143
1-(4-bromophenoxy)-3-[2-methoxyethyl(methyl)amino]propan-2-ol
CID 110899766
1-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-3-(4-methylphenoxy)propan-2-ol
CID 111858601
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
1-[(2-chloro-6-fluorophenyl)methyl-methylamino]-3-(4-phenylphenoxy)propan-2-ol
CID 18224684

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The IUPAC name of 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol (CID 18278682) is 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The canonical SMILES for 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol is Cc1ccc(OCCN(C)CC(O)COc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
The InChIKey is DEBHLCMYWJYYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO3/c1-20-8-12-24(13-9-20)28-17-16-26(2)18-23(27)19-29-25-14-10-22(11-15-25)21-6-4-3-5-7-21/h3-15,23,27H,16-19H2,1-2H3.
What are the key properties of 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol?
1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol has a molecular weight of 391.51 g/mol, XLogP of 4.41, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(4-methylphenoxy)ethyl]amino]-3-(4-phenylphenoxy)propan-2-ol is sourced from PubChem (CID 18278682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).