3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine

C17H29N — CID 102904031

IUPAC3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
SMILESCc1ccccc1C(C)NCC(C(C)C)C(C)C
InChIInChI=1S/C17H29N/c1-12(2)17(13(3)4)11-18-15(6)16-10-8-7-9-14(16)5/h7-10,12-13,15,17-18H,11H2,1-6H3
InChIKeyDXIOPYODJSFKCD-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.57
Rot. Bonds6

About 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine

3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine (PubChem CID 102904031) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
PubChem CID102904031
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine
SMILESCc1ccccc1C(C)NCC(C(C)C)C(C)C
InChIInChI=1S/C17H29N/c1-12(2)17(13(3)4)11-18-15(6)16-10-8-7-9-14(16)5/h7-10,12-13,15,17-18H,11H2,1-6H3
InChIKeyDXIOPYODJSFKCD-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(1R)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 81375054
2-methyl-3-[1-(2-methylphenyl)ethylamino]propanenitrile
CID 60647997
3-methoxy-2-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 104881788
2-amino-3-[1-(2-methylphenyl)ethylamino]propanamide
CID 103246227
2-amino-3-[[(1R)-1-(2-methylphenyl)ethyl]amino]propanoic acid
CID 103258125
N-[2-fluoro-1-(2-methylphenyl)ethyl]-2-methylpropan-1-amine
CID 83820705
2-ethyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-1-amine
CID 81374760
1-[1-(2-methylphenyl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 60632479
1-[[(1R)-1-(2-methylphenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81374323
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
3,3-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 81375562

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine (CID 102904031) is 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine is Cc1ccccc1C(C)NCC(C(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine?
The InChIKey is DXIOPYODJSFKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(2)17(13(3)4)11-18-15(6)16-10-8-7-9-14(16)5/h7-10,12-13,15,17-18H,11H2,1-6H3.
What are the key properties of 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine?
3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methylphenyl)ethyl]-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102904031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).