1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine

C15H23NO — CID 113391540

IUPAC1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2CCCCO2)cc1C
InChIInChI=1S/C15H23NO/c1-11-6-7-13(9-12(11)2)15(16)10-14-5-3-4-8-17-14/h6-7,9,14-15H,3-5,8,10,16H2,1-2H3
InChIKeyNHSVSODEEXPYTH-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine

1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine (PubChem CID 113391540) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
PubChem CID113391540
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine
SMILESCc1ccc(C(N)CC2CCCCO2)cc1C
InChIInChI=1S/C15H23NO/c1-11-6-7-13(9-12(11)2)15(16)10-14-5-3-4-8-17-14/h6-7,9,14-15H,3-5,8,10,16H2,1-2H3
InChIKeyNHSVSODEEXPYTH-UHFFFAOYSA-N
XLogP3.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 62550458
1-(5-methylthiophen-3-yl)-2-(oxolan-2-yl)ethanamine
CID 65104547
1-(4-fluoro-2-methylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62791351
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(oxolan-2-yl)ethanamine
CID 107288743
2-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 65154946
1-(2,4-dimethylphenyl)-2-(oxolan-2-yl)ethanamine
CID 62800857
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
1-(3,4-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988665
2-[bromo-(3,4-dimethylphenyl)methyl]oxane
CID 62212675
1-(3,4-dimethoxyphenyl)-2-(oxan-2-ylmethoxy)ethanamine
CID 43184510
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(3,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562594

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine (CID 113391540) is 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine is Cc1ccc(C(N)CC2CCCCO2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine?
The InChIKey is NHSVSODEEXPYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-6-7-13(9-12(11)2)15(16)10-14-5-3-4-8-17-14/h6-7,9,14-15H,3-5,8,10,16H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine?
1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(oxan-2-yl)ethanamine is sourced from PubChem (CID 113391540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).