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

C16H25NO — CID 63951754

IUPAC1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCc1ccccc1CC(N)CCC1CCCCO1
InChIInChI=1S/C16H25NO/c1-13-6-2-3-7-14(13)12-15(17)9-10-16-8-4-5-11-18-16/h2-3,6-7,15-16H,4-5,8-12,17H2,1H3
InChIKeyZQPFMQHDBKHYBL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.21
Rot. Bonds5

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

1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 63951754) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
PubChem CID63951754
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
SMILESCc1ccccc1CC(N)CCC1CCCCO1
InChIInChI=1S/C16H25NO/c1-13-6-2-3-7-14(13)12-15(17)9-10-16-8-4-5-11-18-16/h2-3,6-7,15-16H,4-5,8-12,17H2,1H3
InChIKeyZQPFMQHDBKHYBL-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-(2-fluorophenyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164593
N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
1-(2-fluoro-3-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105035512
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-(furan-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 105029349
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(2-chlorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164797
1-(5-bromo-2-methoxyphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115817102
1-naphthalen-1-yl-5-(oxolan-2-yl)pentan-2-amine
CID 105156579
[2-(2-methylphenyl)-1-(oxan-2-yl)ethyl]hydrazine
CID 105285184

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine (CID 63951754) is 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine is Cc1ccccc1CC(N)CCC1CCCCO1.
What is the InChIKey of 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is ZQPFMQHDBKHYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-2-3-7-14(13)12-15(17)9-10-16-8-4-5-11-18-16/h2-3,6-7,15-16H,4-5,8-12,17H2,1H3.
What are the key properties of 1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine?
1-(2-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-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 63951754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).