2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol

C24H29NO — CID 167919622

IUPAC2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
SMILESCc1ccccc1C(CC(C)C)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C24H29NO/c1-17(2)15-23(20-12-6-4-9-18(20)3)25-16-24(26)22-14-8-11-19-10-5-7-13-21(19)22/h4-14,17,23-26H,15-16H2,1-3H3
InChIKeyQGVJSRSRYGVXCA-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.56
Rot. Bonds7

About 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol

2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol (PubChem CID 167919622) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
PubChem CID167919622
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol
SMILESCc1ccccc1C(CC(C)C)NCC(O)c1cccc2ccccc12
InChIInChI=1S/C24H29NO/c1-17(2)15-23(20-12-6-4-9-18(20)3)25-16-24(26)22-14-8-11-19-10-5-7-13-21(19)22/h4-14,17,23-26H,15-16H2,1-3H3
InChIKeyQGVJSRSRYGVXCA-UHFFFAOYSA-N
XLogP5.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-1-naphthalen-1-ylbutan-1-amine
CID 62715882
3-methyl-1-naphthalen-1-yl-N-propylbutan-1-amine
CID 55188123
N,3-dimethyl-1-naphthalen-1-ylbutan-1-amine
CID 62716736
N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83820705
(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
N-methyl-1-(2-methylphenyl)-1-naphthalen-1-ylmethanamine
CID 62717419
2-[[[3-methyl-1-(2-methylphenyl)butyl]amino]methyl]-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 167897478
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
CID 119782823
2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
3-methyl-1-(4-methylnaphthalen-1-yl)butan-1-ol
CID 57071428
1-[2,2,2-trichloro-1-(2-methylphenyl)ethyl]naphthalene
CID 71370603

Frequently Asked Questions

What is the IUPAC name of 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol?
The IUPAC name of 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol (CID 167919622) is 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol.
What is the SMILES notation for 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol?
The canonical SMILES for 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol is Cc1ccccc1C(CC(C)C)NCC(O)c1cccc2ccccc12.
What is the InChIKey of 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol?
The InChIKey is QGVJSRSRYGVXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c1-17(2)15-23(20-12-6-4-9-18(20)3)25-16-24(26)22-14-8-11-19-10-5-7-13-21(19)22/h4-14,17,23-26H,15-16H2,1-3H3.
What are the key properties of 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol?
2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol has a molecular weight of 347.50 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-methyl-1-(2-methylphenyl)butyl]amino]-1-naphthalen-1-ylethanol is sourced from PubChem (CID 167919622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).