2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol

C23H27NO — CID 166439956

IUPAC2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2c(CNC(C)(C)C)ccc3ccccc23)c(O)c1
InChIInChI=1S/C23H27NO/c1-15-12-16(2)21(20(25)13-15)22-18(14-24-23(3,4)5)11-10-17-8-6-7-9-19(17)22/h6-13,24-25H,14H2,1-5H3
InChIKeyYUDQCSGCXGPJCJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.72
Rot. Bonds3

About 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol

2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol (PubChem CID 166439956) has the molecular formula C23H27NO and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol.

Molecular Properties

Compound Name2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol
PubChem CID166439956
Molecular FormulaC23H27NO
Molecular Weight333.48 g/mol
Exact Mass333.21
IUPAC Name2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol
SMILESCc1cc(C)c(-c2c(CNC(C)(C)C)ccc3ccccc23)c(O)c1
InChIInChI=1S/C23H27NO/c1-15-12-16(2)21(20(25)13-15)22-18(14-24-23(3,4)5)11-10-17-8-6-7-9-19(17)22/h6-13,24-25H,14H2,1-5H3
InChIKeyYUDQCSGCXGPJCJ-UHFFFAOYSA-N
XLogP5.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-2-[2-[[[(1S)-1-phenylethyl]amino]methyl]naphthalen-1-yl]phenol
CID 11257527
2-[(1S)-1-[[2-[(2,4,6-trimethylanilino)methyl]naphthalen-1-yl]amino]ethyl]phenol
CID 71049445
1-(2-hydroxy-4,6-dimethylphenyl)-N-[(1S)-1-phenylethyl]naphthalene-2-carboxamide
CID 100993738
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
2-[2-(hydroxymethyl)-6-methylphenyl]-3,5-dimethylphenol
CID 102409883
3,5-dimethyl-2-(10-methylacridin-10-ium-9-yl)phenol
CID 154709083
1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
CID 58219550
2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
CID 88526025
[1-[2-[bis(3,5-dimethylphenyl)phosphanylmethyl]naphthalen-1-yl]naphthalen-2-yl]methyl-bis(3,5-dimethylphenyl)phosphane
CID 20820573
2-[(tert-butylamino)methyl]-5-phenylmethoxyphenol
CID 59768381
1,3-bis[4-(2,4,6-trimethylphenyl)naphthalen-1-yl]propane-1,3-dione
CID 142697053
[3,5-dimethyl-2-(2-methylnaphthalen-1-yl)phenyl] trifluoromethanesulfonate
CID 23243239

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol?
The IUPAC name of 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol (CID 166439956) is 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol.
What is the SMILES notation for 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol?
The canonical SMILES for 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol is Cc1cc(C)c(-c2c(CNC(C)(C)C)ccc3ccccc23)c(O)c1.
What is the InChIKey of 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol?
The InChIKey is YUDQCSGCXGPJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO/c1-15-12-16(2)21(20(25)13-15)22-18(14-24-23(3,4)5)11-10-17-8-6-7-9-19(17)22/h6-13,24-25H,14H2,1-5H3.
What are the key properties of 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol?
2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol has a molecular weight of 333.48 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(tert-butylamino)methyl]naphthalen-1-yl]-3,5-dimethylphenol is sourced from PubChem (CID 166439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).