1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine

C15H25N — CID 115797109

IUPAC1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-6-13(7-2)15(16-5)14-9-11(3)8-12(4)10-14/h8-10,13,15-16H,6-7H2,1-5H3
InChIKeyFRQQQYMJSDPTEM-UHFFFAOYSA-N
MW219.37 g/mol
LogP4.00
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine

1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine (PubChem CID 115797109) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
PubChem CID115797109
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine
SMILESCCC(CC)C(NC)c1cc(C)cc(C)c1
InChIInChI=1S/C15H25N/c1-6-13(7-2)15(16-5)14-9-11(3)8-12(4)10-14/h8-10,13,15-16H,6-7H2,1-5H3
InChIKeyFRQQQYMJSDPTEM-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-dimethylphenyl)-2,2-difluoro-N-methylethanamine
CID 80605156
1-(3,5-dimethylphenyl)-2-ethylbutan-1-ol
CID 63894692
1-(3,5-dimethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103311719
2-ethyl-N-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990589
(1R)-1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
CID 93063130
2-ethyl-N-methyl-1-(6-methyl-3-pyridinyl)butan-1-amine
CID 115854887
1-(3-fluoro-5-methylphenyl)-N-methyl-2-phenylbutan-1-amine
CID 105016444
2-ethyl-N-methyl-1-(6-methylnaphthalen-2-yl)propane-1,3-diamine
CID 116960090
1-(4-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 43481938
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
2-ethyl-1-(4-methoxy-3,5-dimethylphenyl)-N-methylhexan-1-amine
CID 83057136
2-ethyl-N-methyl-1-(2,4,5-trifluorophenyl)butan-1-amine
CID 103302248

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine (CID 115797109) is 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine is CCC(CC)C(NC)c1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
The InChIKey is FRQQQYMJSDPTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-13(7-2)15(16-5)14-9-11(3)8-12(4)10-14/h8-10,13,15-16H,6-7H2,1-5H3.
What are the key properties of 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine?
1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine has a molecular weight of 219.37 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-ethyl-N-methylbutan-1-amine is sourced from PubChem (CID 115797109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).