1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine

C15H26N2 — CID 58261025

IUPAC1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine
SMILESCCc1cc(CN(C)C)cc(CN(C)C)c1C
InChIInChI=1S/C15H26N2/c1-7-14-8-13(10-16(3)4)9-15(12(14)2)11-17(5)6/h8-9H,7,10-11H2,1-6H3
InChIKeyLQXCPLMTBAUCQW-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.68
Rot. Bonds5

About 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine

1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine (PubChem CID 58261025) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine
PubChem CID58261025
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine
SMILESCCc1cc(CN(C)C)cc(CN(C)C)c1C
InChIInChI=1S/C15H26N2/c1-7-14-8-13(10-16(3)4)9-15(12(14)2)11-17(5)6/h8-9H,7,10-11H2,1-6H3
InChIKeyLQXCPLMTBAUCQW-UHFFFAOYSA-N
XLogP2.68
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tris[(dimethylamino)methyl]phenol
CID 7026
1-(3,5-dichloro-4-methylphenyl)-N,N-dimethylmethanamine
CID 70823665
5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
CID 145013287
[5-[(dimethylamino)methyl]-2-methyl-3-(methylaminomethyl)phenyl]methyl-trimethylazanium
CID 89473038
thiocyanic acid;2,4,6-tris[(dimethylamino)methyl]phenol
CID 87898895
1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
CID 166055872
3,5-diethyl-2-methylaniline
CID 105432272
[3-[(dimethylamino)methyl]-5-(hydroxymethyl)phenyl]methanol
CID 67196676
ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 143652476
1-[3-[(2-ethylphenoxy)methyl]phenyl]-N,N-dimethylmethanamine
CID 52935326
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
1-[2,3-bis[(dimethylamino)methyl]-5-methylphenyl]-N,N-dimethylmethanamine
CID 59798709

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine (CID 58261025) is 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine is CCc1cc(CN(C)C)cc(CN(C)C)c1C.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine?
The InChIKey is LQXCPLMTBAUCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-7-14-8-13(10-16(3)4)9-15(12(14)2)11-17(5)6/h8-9H,7,10-11H2,1-6H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine?
1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine has a molecular weight of 234.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-5-ethyl-4-methylphenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58261025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).