N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine

C13H21N — CID 82491046

IUPACN-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
SMILESCNC(C)c1cc(C(C)C)ccc1C
InChIInChI=1S/C13H21N/c1-9(2)12-7-6-10(3)13(8-12)11(4)14-5/h6-9,11,14H,1-5H3
InChIKeyNDSUQQCBQMUQID-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.40
Rot. Bonds3

About N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine

N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine (PubChem CID 82491046) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
PubChem CID82491046
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC NameN-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine
SMILESCNC(C)c1cc(C(C)C)ccc1C
InChIInChI=1S/C13H21N/c1-9(2)12-7-6-10(3)13(8-12)11(4)14-5/h6-9,11,14H,1-5H3
InChIKeyNDSUQQCBQMUQID-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methane;tris(1-methyl-2,4-di(propan-2-yl)benzene)
CID 159581876
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
CID 116855714
3-[methylamino-(2-methyl-5-propan-2-ylphenyl)methyl]aniline
CID 116951893
(1R)-1-(2-methyl-5-propan-2-ylphenyl)propan-1-amine
CID 55296635
2-(dimethylamino)-2-(2-methyl-5-propan-2-ylphenyl)ethanol
CID 116857274
1-hydrazinyl-N,N-dimethyl-1-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116914916
3-methyl-1-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82493939
2,4-di(propan-2-yl)phenol;methane;bis(1-methyl-2,4-di(propan-2-yl)benzene)
CID 162090917
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
3-amino-N'-methyl-3-(2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116849694
(1S)-1-(2,3-difluoro-4-methylphenyl)-N-methylethanamine
CID 130642461
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine (CID 82491046) is N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine is CNC(C)c1cc(C(C)C)ccc1C.
What is the InChIKey of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine?
The InChIKey is NDSUQQCBQMUQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-9(2)12-7-6-10(3)13(8-12)11(4)14-5/h6-9,11,14H,1-5H3.
What are the key properties of N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine?
N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-5-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 82491046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).