2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol

C21H29NO3 — CID 13079634

IUPAC2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
SMILESCC(C)(CCc1ccc(OCCO)cc1)NCC(O)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-21(2,22-16-20(24)18-6-4-3-5-7-18)13-12-17-8-10-19(11-9-17)25-15-14-23/h3-11,20,22-24H,12-16H2,1-2H3
InChIKeyKXHNXMHJXODIEX-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.09
Rot. Bonds10

About 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol

2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol (PubChem CID 13079634) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
PubChem CID13079634
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol
SMILESCC(C)(CCc1ccc(OCCO)cc1)NCC(O)c1ccccc1
InChIInChI=1S/C21H29NO3/c1-21(2,22-16-20(24)18-6-4-3-5-7-18)13-12-17-8-10-19(11-9-17)25-15-14-23/h3-11,20,22-24H,12-16H2,1-2H3
InChIKeyKXHNXMHJXODIEX-UHFFFAOYSA-N
XLogP3.09
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-4-phenylbutan-2-yl)amino]-1-phenylethanol
CID 115690807
3-[(2-methyl-4-phenylbutan-2-yl)amino]propane-1,2-diol
CID 12855751
hydron;2-[(2-hydroxy-2-phenylethyl)amino]-2-methylpropan-1-ol;chloride
CID 67107982
1-[(2-methyl-4-phenylbutan-2-yl)amino]-3-pyridin-4-yloxypropan-2-ol
CID 12855748
2-[[2-(4-ethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpropan-1-ol
CID 82313995
2-[4-(2-methoxyethyl)phenoxy]-1-phenylethanol
CID 60730618
1-phenyl-2-[6-[2-(4-phenylmethoxyphenyl)ethoxy]hexylamino]ethanol
CID 67817207
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
(1S,2R)-2-amino-4-(4-heptoxyphenyl)-2-methyl-1-phenylbutan-1-ol
CID 11581481
2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethoxy]phenyl]acetic acid chloride
CID 71297113
(2R)-2-[4-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]phenoxy]propanoic acid
CID 67001965
3-[4-(2-phenylethoxy)anilino]propan-1-ol
CID 143523886

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol?
The IUPAC name of 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol (CID 13079634) is 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol.
What is the SMILES notation for 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol?
The canonical SMILES for 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol is CC(C)(CCc1ccc(OCCO)cc1)NCC(O)c1ccccc1.
What is the InChIKey of 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol?
The InChIKey is KXHNXMHJXODIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29NO3/c1-21(2,22-16-20(24)18-6-4-3-5-7-18)13-12-17-8-10-19(11-9-17)25-15-14-23/h3-11,20,22-24H,12-16H2,1-2H3.
What are the key properties of 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol?
2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol has a molecular weight of 343.47 g/mol, XLogP of 3.09, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(2-hydroxyethoxy)phenyl]-2-methylbutan-2-yl]amino]-1-phenylethanol is sourced from PubChem (CID 13079634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).