2-(3-methylanilino)-1-naphthalen-2-ylethanol

C19H19NO — CID 60903235

IUPAC2-(3-methylanilino)-1-naphthalen-2-ylethanol
SMILESCc1cccc(NCC(O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H19NO/c1-14-5-4-8-18(11-14)20-13-19(21)17-10-9-15-6-2-3-7-16(15)12-17/h2-12,19-21H,13H2,1H3
InChIKeyZWFYVRCDULRYIT-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.29
Rot. Bonds4

About 2-(3-methylanilino)-1-naphthalen-2-ylethanol

2-(3-methylanilino)-1-naphthalen-2-ylethanol (PubChem CID 60903235) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(3-methylanilino)-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-(3-methylanilino)-1-naphthalen-2-ylethanol
PubChem CID60903235
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name2-(3-methylanilino)-1-naphthalen-2-ylethanol
SMILESCc1cccc(NCC(O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C19H19NO/c1-14-5-4-8-18(11-14)20-13-19(21)17-10-9-15-6-2-3-7-16(15)12-17/h2-12,19-21H,13H2,1H3
InChIKeyZWFYVRCDULRYIT-UHFFFAOYSA-N
XLogP4.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60902513
1-(3,4-difluorophenyl)-2-(3-methylanilino)ethanol
CID 60902372
(2S)-1-(3-methylanilino)propan-2-ol
CID 39236026
(2R)-1-(3-methylanilino)propan-2-ol
CID 39236024
2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol
CID 102805452
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
[(S)-(3-methylanilino)-naphthalen-2-ylmethyl]phosphonic acid
CID 25333600
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
CID 124571352
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
2-(3-bromoanilino)-1-(4-methoxyphenyl)ethanol
CID 60898183

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylanilino)-1-naphthalen-2-ylethanol?
The IUPAC name of 2-(3-methylanilino)-1-naphthalen-2-ylethanol (CID 60903235) is 2-(3-methylanilino)-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-(3-methylanilino)-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-(3-methylanilino)-1-naphthalen-2-ylethanol is Cc1cccc(NCC(O)c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-methylanilino)-1-naphthalen-2-ylethanol?
The InChIKey is ZWFYVRCDULRYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-5-4-8-18(11-14)20-13-19(21)17-10-9-15-6-2-3-7-16(15)12-17/h2-12,19-21H,13H2,1H3.
What are the key properties of 2-(3-methylanilino)-1-naphthalen-2-ylethanol?
2-(3-methylanilino)-1-naphthalen-2-ylethanol has a molecular weight of 277.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylanilino)-1-naphthalen-2-ylethanol is sourced from PubChem (CID 60903235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).