1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane

C12H21N — CID 142925583

IUPAC1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
SMILESCC.CNCc1cc(C)ccc1C
InChIInChI=1S/C10H15N.C2H6/c1-8-4-5-9(2)10(6-8)7-11-3;1-2/h4-6,11H,7H2,1-3H3;1-2H3
InChIKeyKCHGPNBTKACHIZ-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.05
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane

1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane (PubChem CID 142925583) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
PubChem CID142925583
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
SMILESCC.CNCc1cc(C)ccc1C
InChIInChI=1S/C10H15N.C2H6/c1-8-4-5-9(2)10(6-8)7-11-3;1-2/h4-6,11H,7H2,1-3H3;1-2H3
InChIKeyKCHGPNBTKACHIZ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(2,5-dimethylphenyl)methyl]propan-2-amine
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N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
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CID 178158630
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
N-[(2,5-dimethylphenyl)methyl]-3-ethylpentan-3-amine
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1-[1-[(2,5-dimethylphenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404892

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane (CID 142925583) is 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane is CC.CNCc1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane?
The InChIKey is KCHGPNBTKACHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-8-4-5-9(2)10(6-8)7-11-3;1-2/h4-6,11H,7H2,1-3H3;1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane?
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane has a molecular weight of 179.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane is sourced from PubChem (CID 142925583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).