1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine

C13H21N — CID 145416557

IUPAC1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(CC)NC)cc1C
InChIInChI=1S/C13H21N/c1-5-11-7-8-12(9-10(11)3)13(6-2)14-4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyPJJCIBGCZPKNIP-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine

1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine (PubChem CID 145416557) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine
PubChem CID145416557
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(C(CC)NC)cc1C
InChIInChI=1S/C13H21N/c1-5-11-7-8-12(9-10(11)3)13(6-2)14-4/h7-9,13-14H,5-6H2,1-4H3
InChIKeyPJJCIBGCZPKNIP-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
4-(difluoromethyl)-1-ethyl-2-methylbenzene
CID 89190033
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83056847
1-[4-(3,5-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63423811
2-(2,4-dimethylphenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133202118
1-(4-butan-2-ylphenyl)-N-methylpropan-1-amine
CID 43483040
1-[4-(4-fluoro-3-methylphenyl)phenyl]-N-methylpropan-1-amine
CID 54912003
1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264
1-[3-(3,4-dimethylphenyl)phenyl]-N-methylpropan-1-amine
CID 63424535
(2R)-2-(3,4-dimethylphenyl)-2-(methylamino)ethanol
CID 93471271

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine (CID 145416557) is 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine is CCc1ccc(C(CC)NC)cc1C.
What is the InChIKey of 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine?
The InChIKey is PJJCIBGCZPKNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-5-11-7-8-12(9-10(11)3)13(6-2)14-4/h7-9,13-14H,5-6H2,1-4H3.
What are the key properties of 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine?
1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-methylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 145416557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).