1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol

C29H46N2O4 — CID 166667960

IUPAC1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol
SMILESCC(O)CN(CCN(CC(C)O)CC(C)Oc1ccc(C(C)(C)c2ccccc2)cc1)CC(C)O
InChIInChI=1S/C29H46N2O4/c1-22(32)18-30(19-23(2)33)16-17-31(20-24(3)34)21-25(4)35-28-14-12-27(13-15-28)29(5,6)26-10-8-7-9-11-26/h7-15,22-25,32-34H,16-21H2,1-6H3
InChIKeyAMRKOVYHPPXCIU-UHFFFAOYSA-N
MW486.70 g/mol
LogP3.53
Rot. Bonds15

About 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol

1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol (PubChem CID 166667960) has the molecular formula C29H46N2O4 and a molecular weight of 486.70 g/mol. Its IUPAC name is 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol
PubChem CID166667960
Molecular FormulaC29H46N2O4
Molecular Weight486.70 g/mol
Exact Mass486.35
IUPAC Name1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol
SMILESCC(O)CN(CCN(CC(C)O)CC(C)Oc1ccc(C(C)(C)c2ccccc2)cc1)CC(C)O
InChIInChI=1S/C29H46N2O4/c1-22(32)18-30(19-23(2)33)16-17-31(20-24(3)34)21-25(4)35-28-14-12-27(13-15-28)29(5,6)26-10-8-7-9-11-26/h7-15,22-25,32-34H,16-21H2,1-6H3
InChIKeyAMRKOVYHPPXCIU-UHFFFAOYSA-N
XLogP3.53
TPSA76.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.70
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol with MolForge

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Related Compounds

1-[2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]propyl-(2-methylpropyl)amino]propan-2-ol
CID 137476580
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
3-[4-[2-[4-(3-hydroxy-1-phenoxypropoxy)phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-1-ol
CID 3035140
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
2-[4-[2-[4-(1-carboxyethoxy)phenyl]propan-2-yl]phenoxy]propanoic acid
CID 110193293
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184
N,N-dimethyl-4-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-amine;oxalic acid
CID 2934373
trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
CID 175105136

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol?
The IUPAC name of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol (CID 166667960) is 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol?
The canonical SMILES for 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol is CC(O)CN(CCN(CC(C)O)CC(C)Oc1ccc(C(C)(C)c2ccccc2)cc1)CC(C)O.
What is the InChIKey of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol?
The InChIKey is AMRKOVYHPPXCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N2O4/c1-22(32)18-30(19-23(2)33)16-17-31(20-24(3)34)21-25(4)35-28-14-12-27(13-15-28)29(5,6)26-10-8-7-9-11-26/h7-15,22-25,32-34H,16-21H2,1-6H3.
What are the key properties of 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol?
1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol has a molecular weight of 486.70 g/mol, XLogP of 3.53, 15 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxypropyl-[2-[2-hydroxypropyl-[2-[4-(2-phenylpropan-2-yl)phenoxy]propyl]amino]ethyl]amino]propan-2-ol is sourced from PubChem (CID 166667960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).