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

C15H23NO — CID 65166872

IUPAC1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccc(C(N)CCCC2CCCO2)cc1
InChIInChI=1S/C15H23NO/c1-12-7-9-13(10-8-12)15(16)6-2-4-14-5-3-11-17-14/h7-10,14-15H,2-6,11,16H2,1H3
InChIKeyBAXPBNOWZKLGMQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.34
Rot. Bonds5

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

1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65166872) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
PubChem CID65166872
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
SMILESCc1ccc(C(N)CCCC2CCCO2)cc1
InChIInChI=1S/C15H23NO/c1-12-7-9-13(10-8-12)15(16)6-2-4-14-5-3-11-17-14/h7-10,14-15H,2-6,11,16H2,1H3
InChIKeyBAXPBNOWZKLGMQ-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993395
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
1-(5-methylfuran-2-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993129
1-(2-methoxy-5-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 104993086
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390
1-(4-chloro-3-fluorophenyl)-4-(oxolan-2-yl)butan-1-amine
CID 107993675
4-(oxolan-2-yl)-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65164140
N'-methyl-1-(4-methylphenyl)-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61431491
1-(2,4-dimethylphenyl)-4-(oxolan-2-yl)butan-1-ol
CID 65161655
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
1-(2,5-dimethylfuran-3-yl)-4-(oxolan-2-yl)butan-1-amine
CID 104993263
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine (CID 65166872) is 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is Cc1ccc(C(N)CCCC2CCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is BAXPBNOWZKLGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-7-9-13(10-8-12)15(16)6-2-4-14-5-3-11-17-14/h7-10,14-15H,2-6,11,16H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine?
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65166872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).