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

C16H25NO — CID 63951755

IUPAC1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCc1ccc(CC(N)CCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO/c1-13-5-7-14(8-6-13)12-15(17)9-10-16-4-2-3-11-18-16/h5-8,15-16H,2-4,9-12,17H2,1H3
InChIKeySJTOUJVLCXOGME-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds5

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

1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 63951755) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
PubChem CID63951755
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCc1ccc(CC(N)CCC2CCCCO2)cc1
InChIInChI=1S/C16H25NO/c1-13-5-7-14(8-6-13)12-15(17)9-10-16-4-2-3-11-18-16/h5-8,15-16H,2-4,9-12,17H2,1H3
InChIKeySJTOUJVLCXOGME-UHFFFAOYSA-N
XLogP3.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1-(3,5-dimethylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164754
1-(4-chlorophenyl)-3-(oxan-2-yl)propan-2-amine
CID 113391539
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
5-(oxolan-2-yl)-1-pyridin-4-ylpentan-2-amine
CID 65164603
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
CID 105015928
1-(4-methylphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65166872

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine (CID 63951755) is 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine is Cc1ccc(CC(N)CCC2CCCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is SJTOUJVLCXOGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-5-7-14(8-6-13)12-15(17)9-10-16-4-2-3-11-18-16/h5-8,15-16H,2-4,9-12,17H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.21, 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-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 63951755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).