1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine

C18H29NO — CID 105024443

IUPAC1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1c(C)cccc1C
InChIInChI=1S/C18H29NO/c1-4-19-16(10-11-17-9-6-12-20-17)13-18-14(2)7-5-8-15(18)3/h5,7-8,16-17,19H,4,6,9-13H2,1-3H3
InChIKeyZQWXWWNAQIHCKG-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.78
Rot. Bonds7

About 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine

1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 105024443) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID105024443
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)Cc1c(C)cccc1C
InChIInChI=1S/C18H29NO/c1-4-19-16(10-11-17-9-6-12-20-17)13-18-14(2)7-5-8-15(18)3/h5,7-8,16-17,19H,4,6,9-13H2,1-3H3
InChIKeyZQWXWWNAQIHCKG-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63950955
N-ethyl-1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65164597
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxolan-2-yl)butan-2-amine
CID 105050994
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-(2-bromo-3-methylphenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 107985085
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
N-ethyl-1-(4-fluoro-2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 105050949
1-(2,6-difluorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 114931834
1-(4-chloro-2-fluorophenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105055271

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine (CID 105024443) is 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine is CCNC(CCC1CCCO1)Cc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is ZQWXWWNAQIHCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-19-16(10-11-17-9-6-12-20-17)13-18-14(2)7-5-8-15(18)3/h5,7-8,16-17,19H,4,6,9-13H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine?
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 105024443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).