1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol

C21H23NO — CID 129056725

IUPAC1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
SMILESCC(Cc1ccc2ccccc2c1)Nc1ccccc1C(C)O
InChIInChI=1S/C21H23NO/c1-15(22-21-10-6-5-9-20(21)16(2)23)13-17-11-12-18-7-3-4-8-19(18)14-17/h3-12,14-16,22-23H,13H2,1-2H3
InChIKeyQYSAVCQIKYDOIG-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.94
Rot. Bonds5

About 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol

1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol (PubChem CID 129056725) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
PubChem CID129056725
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
SMILESCC(Cc1ccc2ccccc2c1)Nc1ccccc1C(C)O
InChIInChI=1S/C21H23NO/c1-15(22-21-10-6-5-9-20(21)16(2)23)13-17-11-12-18-7-3-4-8-19(18)14-17/h3-12,14-16,22-23H,13H2,1-2H3
InChIKeyQYSAVCQIKYDOIG-UHFFFAOYSA-N
XLogP4.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-(1-naphthalen-2-ylpropan-2-ylamino)phenol
CID 145300140
N-(1-phenylpropan-2-yl)-2-propan-2-ylaniline
CID 55200343
2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
1-[2-(1-hydroxyethylamino)phenyl]ethanol
CID 141441966
1-[2-(1-ethylsulfonylpropan-2-ylamino)phenyl]ethanol
CID 113494512
(1S)-2-naphthalen-2-yl-1-phenylethanol
CID 101378142
[4-(1-naphthalen-2-ylpropan-2-ylamino)phenyl] acetate
CID 168720430
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424
2-(2-propan-2-ylanilino)propan-1-ol
CID 70464272
(2S)-N-[(2S)-1-naphthalen-2-ylpropan-2-yl]-2-propan-2-ylsulfonylpropanamide
CID 95382799
1-naphthalen-2-yl-3-propan-2-yloxypropan-2-ol
CID 105114348
1-methoxy-3-naphthalen-2-ylpropan-2-ol
CID 105112115

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol?
The IUPAC name of 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol (CID 129056725) is 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol.
What is the SMILES notation for 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol?
The canonical SMILES for 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol is CC(Cc1ccc2ccccc2c1)Nc1ccccc1C(C)O.
What is the InChIKey of 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol?
The InChIKey is QYSAVCQIKYDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-15(22-21-10-6-5-9-20(21)16(2)23)13-17-11-12-18-7-3-4-8-19(18)14-17/h3-12,14-16,22-23H,13H2,1-2H3.
What are the key properties of 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol?
1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol has a molecular weight of 305.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol is sourced from PubChem (CID 129056725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).