3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine

C15H25N — CID 79421959

IUPAC3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine
SMILESCCC(CC)C(CNC)c1ccccc1C
InChIInChI=1S/C15H25N/c1-5-13(6-2)15(11-16-4)14-10-8-7-9-12(14)3/h7-10,13,15-16H,5-6,11H2,1-4H3
InChIKeyQRZRJWPIQGFHAZ-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.73
Rot. Bonds6

About 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine

3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine (PubChem CID 79421959) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine
PubChem CID79421959
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine
SMILESCCC(CC)C(CNC)c1ccccc1C
InChIInChI=1S/C15H25N/c1-5-13(6-2)15(11-16-4)14-10-8-7-9-12(14)3/h7-10,13,15-16H,5-6,11H2,1-4H3
InChIKeyQRZRJWPIQGFHAZ-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(methylamino)-1-(2-methylphenyl)ethanol
CID 14888492
N-methyl-2-(2-methylphenyl)-2-propoxyethanamine
CID 62106404
N-methyl-2-(2-methylphenyl)-2-(2-propoxyethoxy)ethanamine
CID 63684704
N-methyl-2-(2-methylphenyl)-3-trimethylsilylpropan-1-amine
CID 106323709
4-ethoxy-N-methyl-2-(2-methylphenyl)butan-1-amine
CID 79421089
N,4-diethyl-2-(2-methylphenyl)hexan-1-amine
CID 82929523
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682
1-methyl-2-(3-methylpentan-2-yl)benzene
CID 23555669
[2-ethyl-1-(2-methylphenyl)hexyl]hydrazine
CID 105286043
2-(2-methylphenyl)-N-(2-methylpropyl)hexan-1-amine
CID 79421507
2-ethyl-N,N'-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,3-diamine
CID 116960845
N-methyl-2-(2-methylphenyl)-3-phenylmethoxypropan-1-amine
CID 102940569

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine (CID 79421959) is 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine is CCC(CC)C(CNC)c1ccccc1C.
What is the InChIKey of 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine?
The InChIKey is QRZRJWPIQGFHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-5-13(6-2)15(11-16-4)14-10-8-7-9-12(14)3/h7-10,13,15-16H,5-6,11H2,1-4H3.
What are the key properties of 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine?
3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-2-(2-methylphenyl)pentan-1-amine is sourced from PubChem (CID 79421959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).