N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine

C18H29NO — CID 62213881

IUPACN-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1C)C1CCCCO1
InChIInChI=1S/C18H29NO/c1-5-9-19-18(16-8-6-7-10-20-16)17-14(3)11-13(2)12-15(17)4/h11-12,16,18-19H,5-10H2,1-4H3
InChIKeyZIOVXDFYPYXWGH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.22
Rot. Bonds5

About N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine

N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine (PubChem CID 62213881) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
PubChem CID62213881
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1c(C)cc(C)cc1C)C1CCCCO1
InChIInChI=1S/C18H29NO/c1-5-9-19-18(16-8-6-7-10-20-16)17-14(3)11-13(2)12-15(17)4/h11-12,16,18-19H,5-10H2,1-4H3
InChIKeyZIOVXDFYPYXWGH-UHFFFAOYSA-N
XLogP4.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-2,6-dimethylphenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 106878787
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(2-methoxy-4,6-dimethylphenyl)-(oxan-2-yl)methyl]ethanamine
CID 106682226
N-[cycloheptyl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 63503195
N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methyl]propan-1-amine
CID 106881806
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-1-(oxan-2-yl)methanamine
CID 106682477
N-[(5-methylthiophen-3-yl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328877
N-[oxolan-2-yl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 43490967
N-[oxolan-2-yl-(2,4,5-trifluorophenyl)methyl]propan-1-amine
CID 103302939
N-[cyclohexyl-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881354
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
CID 115809147

Frequently Asked Questions

What is the IUPAC name of N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine (CID 62213881) is N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine is CCCNC(c1c(C)cc(C)cc1C)C1CCCCO1.
What is the InChIKey of N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is ZIOVXDFYPYXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-9-19-18(16-8-6-7-10-20-16)17-14(3)11-13(2)12-15(17)4/h11-12,16,18-19H,5-10H2,1-4H3.
What are the key properties of N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 62213881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).