1-(2,3-dimethylphenyl)-N-methylpentan-1-amine

C14H23N — CID 79405236

IUPAC1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1cccc(C)c1C
InChIInChI=1S/C14H23N/c1-5-6-10-14(15-4)13-9-7-8-11(2)12(13)3/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyKNIMTYAZZSXFJC-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine

1-(2,3-dimethylphenyl)-N-methylpentan-1-amine (PubChem CID 79405236) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
PubChem CID79405236
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(2,3-dimethylphenyl)-N-methylpentan-1-amine
SMILESCCCCC(NC)c1cccc(C)c1C
InChIInChI=1S/C14H23N/c1-5-6-10-14(15-4)13-9-7-8-11(2)12(13)3/h7-9,14-15H,5-6,10H2,1-4H3
InChIKeyKNIMTYAZZSXFJC-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2,3-dimethylphenyl)heptylhydrazine
CID 105293889
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2-fluoro-3-methylphenyl)-N-methyloctan-1-amine
CID 115832230
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
N-methyl-1-naphthalen-1-ylpentan-1-amine
CID 55103784
1-(2,3-dimethylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028600
1-(2,3-dimethylphenyl)-N-methyl-2-methylsulfanylethanamine
CID 62691947
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(2-chloro-3-methylphenyl)-N-methylbutan-1-amine
CID 114982147
1-(2-fluorophenyl)-N-methylpentan-1-amine
CID 63083903

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine (CID 79405236) is 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine is CCCCC(NC)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine?
The InChIKey is KNIMTYAZZSXFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-6-10-14(15-4)13-9-7-8-11(2)12(13)3/h7-9,14-15H,5-6,10H2,1-4H3.
What are the key properties of 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine?
1-(2,3-dimethylphenyl)-N-methylpentan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-methylpentan-1-amine is sourced from PubChem (CID 79405236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).