3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine

C18H29NO — CID 63952126

IUPAC3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)CCC2CCCCO2)c1C
InChIInChI=1S/C18H29NO/c1-12-11-13(2)15(4)18(14(12)3)17(19)9-8-16-7-5-6-10-20-16/h11,16-17H,5-10,19H2,1-4H3
InChIKeyJZRUPRXRJFEDTD-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.27
Rot. Bonds4

About 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine

3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine (PubChem CID 63952126) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
PubChem CID63952126
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)CCC2CCCCO2)c1C
InChIInChI=1S/C18H29NO/c1-12-11-13(2)15(4)18(14(12)3)17(19)9-8-16-7-5-6-10-20-16/h11,16-17H,5-10,19H2,1-4H3
InChIKeyJZRUPRXRJFEDTD-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(oxolan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 65155041
3-(oxan-2-yl)-1-(2,4,5-trimethylphenyl)propan-1-amine
CID 104990469
1-(4-fluoro-2,6-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 106877357
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985
1-(2,5-dimethylthiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63953738
1-(5-bromo-4-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-amine
CID 79991199
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(2,5-dibromothiophen-3-yl)-3-(oxan-2-yl)propan-1-amine
CID 63951729
1-(2-methoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63950936
1-(5-chloro-2-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993670
1-(2,6-dimethoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 104993546
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65167390

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The IUPAC name of 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine (CID 63952126) is 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine.
What is the SMILES notation for 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The canonical SMILES for 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine is Cc1cc(C)c(C)c(C(N)CCC2CCCCO2)c1C.
What is the InChIKey of 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
The InChIKey is JZRUPRXRJFEDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-12-11-13(2)15(4)18(14(12)3)17(19)9-8-16-7-5-6-10-20-16/h11,16-17H,5-10,19H2,1-4H3.
What are the key properties of 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine?
3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-1-(2,3,5,6-tetramethylphenyl)propan-1-amine is sourced from PubChem (CID 63952126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).