N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine

C19H31NO — CID 115829168

IUPACN-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H31NO/c1-14-11-15(2)19(16(3)12-14)13-17(20-4)8-9-18-7-5-6-10-21-18/h11-12,17-18,20H,5-10,13H2,1-4H3
InChIKeyKDYIQUSRRQFFMO-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.09
Rot. Bonds6

About N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine

N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine (PubChem CID 115829168) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
PubChem CID115829168
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC NameN-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
SMILESCNC(CCC1CCCCO1)Cc1c(C)cc(C)cc1C
InChIInChI=1S/C19H31NO/c1-14-11-15(2)19(16(3)12-14)13-17(20-4)8-9-18-7-5-6-10-21-18/h11-12,17-18,20H,5-10,13H2,1-4H3
InChIKeyKDYIQUSRRQFFMO-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
[1-(oxan-2-yl)-3-(2,4,6-trimethylphenyl)propan-2-yl]hydrazine
CID 105267542
4-(oxolan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-ol
CID 115781964
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105035142
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105002584
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
The IUPAC name of N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine (CID 115829168) is N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
The canonical SMILES for N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine is CNC(CCC1CCCCO1)Cc1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
The InChIKey is KDYIQUSRRQFFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-14-11-15(2)19(16(3)12-14)13-17(20-4)8-9-18-7-5-6-10-21-18/h11-12,17-18,20H,5-10,13H2,1-4H3.
What are the key properties of N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine?
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine is sourced from PubChem (CID 115829168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).