2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

C15H23NO — CID 79421800

IUPAC2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccccc1C(CN)CCC1CCCO1
InChIInChI=1S/C15H23NO/c1-12-5-2-3-7-15(12)13(11-16)8-9-14-6-4-10-17-14/h2-3,5,7,13-14H,4,6,8-11,16H2,1H3
InChIKeyCFSGPNCVVWYTDG-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.00
Rot. Bonds5

About 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine

2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 79421800) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID79421800
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccccc1C(CN)CCC1CCCO1
InChIInChI=1S/C15H23NO/c1-12-5-2-3-7-15(12)13(11-16)8-9-14-6-4-10-17-14/h2-3,5,7,13-14H,4,6,8-11,16H2,1H3
InChIKeyCFSGPNCVVWYTDG-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79424138
2-(2-methylphenyl)-5-(oxolan-2-yl)pentanoic acid
CID 79421580
2-(2-methylphenyl)-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 79424185
[1-(2-methylsulfanylphenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314298
N-[(1S)-1-(2-methylphenyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81374337
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
[1-(2,3-dimethylphenyl)-4-(oxolan-2-yl)butyl]hydrazine
CID 105314004
2-(3-chlorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 79443258
[1-(2-iodophenyl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105314283
2-[3-(2-bromophenyl)-4-chlorobutyl]oxolane
CID 79454250
1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]-3-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]urea
CID 95767331
[1-(2-methylfuran-3-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105269010

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (CID 79421800) is 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is Cc1ccccc1C(CN)CCC1CCCO1.
What is the InChIKey of 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is CFSGPNCVVWYTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-5-2-3-7-15(12)13(11-16)8-9-14-6-4-10-17-14/h2-3,5,7,13-14H,4,6,8-11,16H2,1H3.
What are the key properties of 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 233.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 79421800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).