N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine

C17H27NO — CID 105138690

IUPACN-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
SMILESCNC(CCc1ccccc1C)CC1CCOCC1
InChIInChI=1S/C17H27NO/c1-14-5-3-4-6-16(14)7-8-17(18-2)13-15-9-11-19-12-10-15/h3-6,15,17-18H,7-13H2,1-2H3
InChIKeyDWTPLXAXGGRSGI-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.33
Rot. Bonds6

About N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine

N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine (PubChem CID 105138690) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
PubChem CID105138690
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine
SMILESCNC(CCc1ccccc1C)CC1CCOCC1
InChIInChI=1S/C17H27NO/c1-14-5-3-4-6-16(14)7-8-17(18-2)13-15-9-11-19-12-10-15/h3-6,15,17-18H,7-13H2,1-2H3
InChIKeyDWTPLXAXGGRSGI-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-N-methyl-1-(oxan-4-yl)butan-2-amine
CID 115846590
1-(oxan-4-yl)-4-phenyl-N-propylbutan-2-amine
CID 62600838
N-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
N-methyl-1-(oxolan-3-yl)-4-thiophen-2-ylbutan-2-amine
CID 103986936
N,6,6-trimethyl-1-(2-methylphenyl)heptan-3-amine
CID 105140044
N-methyl-1-(2-methylphenyl)octan-3-amine
CID 105129664
[1-cyclopropyl-5-(2-methylphenyl)pentan-3-yl]hydrazine
CID 105315024
1-ethoxy-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 105165085
N-methyl-1-naphthalen-2-yl-3-(oxan-4-yl)propan-2-amine
CID 105138718
N-methyl-1-(2-methylphenyl)-5-methylsulfonylpentan-3-amine
CID 114984191
1-(4-chlorophenyl)-N-methyl-4-(2-methylphenyl)butan-2-amine
CID 62367103
N-methyl-4-(1-methylpyrazol-4-yl)-1-(oxolan-3-yl)butan-2-amine
CID 103012081

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine?
The IUPAC name of N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine (CID 105138690) is N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine.
What is the SMILES notation for N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine?
The canonical SMILES for N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine is CNC(CCc1ccccc1C)CC1CCOCC1.
What is the InChIKey of N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine?
The InChIKey is DWTPLXAXGGRSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14-5-3-4-6-16(14)7-8-17(18-2)13-15-9-11-19-12-10-15/h3-6,15,17-18H,7-13H2,1-2H3.
What are the key properties of N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine?
N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylphenyl)-1-(oxan-4-yl)butan-2-amine is sourced from PubChem (CID 105138690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).