4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol

C22H31NO3 — CID 21312383

IUPAC4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
SMILESCCCc1ccccc1OCC(O)CNC(C)(C)Cc1ccc(O)cc1
InChIInChI=1S/C22H31NO3/c1-4-7-18-8-5-6-9-21(18)26-16-20(25)15-23-22(2,3)14-17-10-12-19(24)13-11-17/h5-6,8-13,20,23-25H,4,7,14-16H2,1-3H3
InChIKeyYSJWGHJOPMZJRQ-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.70
Rot. Bonds10

About 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol

4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol (PubChem CID 21312383) has the molecular formula C22H31NO3 and a molecular weight of 357.49 g/mol. Its IUPAC name is 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol.

Molecular Properties

Compound Name4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
PubChem CID21312383
Molecular FormulaC22H31NO3
Molecular Weight357.49 g/mol
Exact Mass357.23
IUPAC Name4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol
SMILESCCCc1ccccc1OCC(O)CNC(C)(C)Cc1ccc(O)cc1
InChIInChI=1S/C22H31NO3/c1-4-7-18-8-5-6-9-21(18)26-16-20(25)15-23-22(2,3)14-17-10-12-19(24)13-11-17/h5-6,8-13,20,23-25H,4,7,14-16H2,1-3H3
InChIKeyYSJWGHJOPMZJRQ-UHFFFAOYSA-N
XLogP3.70
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-methoxyethoxymethyl)phenoxy]-3-[(2-methyl-1-phenylpropan-2-yl)amino]propan-2-ol
CID 23471045
1-[(2-methyl-1-phenylpropan-2-yl)amino]-3-naphthalen-1-yloxypropan-2-ol
CID 22640874
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
CID 10023248
(2R)-1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-naphthalen-1-yloxypropan-2-ol
CID 59040452
1-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]-3-(4-propylphenoxy)propan-2-ol;hydrochloride
CID 22640809
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
(2R)-3-(2-propylphenoxy)propane-1,2-diol
CID 139198404
(2R)-1-(2,3-dichlorophenoxy)-3-[[1-(3,4-dichlorophenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 10113937
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 21124908
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]-2-methylpropan-1-ol
CID 13104426
1-(2-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 21124907
1-(1,3-benzodioxol-4-yloxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 22957856

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol?
The IUPAC name of 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol (CID 21312383) is 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol.
What is the SMILES notation for 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol?
The canonical SMILES for 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol is CCCc1ccccc1OCC(O)CNC(C)(C)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol?
The InChIKey is YSJWGHJOPMZJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO3/c1-4-7-18-8-5-6-9-21(18)26-16-20(25)15-23-22(2,3)14-17-10-12-19(24)13-11-17/h5-6,8-13,20,23-25H,4,7,14-16H2,1-3H3.
What are the key properties of 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol?
4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol has a molecular weight of 357.49 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-hydroxy-3-(2-propylphenoxy)propyl]amino]-2-methylpropyl]phenol is sourced from PubChem (CID 21312383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).