3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine

C14H23N — CID 171831646

IUPAC3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCCc1c(C)cccc1CC(C)CNC
InChIInChI=1S/C14H23N/c1-5-14-12(3)7-6-8-13(14)9-11(2)10-15-4/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyCSKBFQOAYULNIA-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.96
Rot. Bonds5

About 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine

3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine (PubChem CID 171831646) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine
PubChem CID171831646
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine
SMILESCCc1c(C)cccc1CC(C)CNC
InChIInChI=1S/C14H23N/c1-5-14-12(3)7-6-8-13(14)9-11(2)10-15-4/h6-8,11,15H,5,9-10H2,1-4H3
InChIKeyCSKBFQOAYULNIA-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(2-ethyl-3-methylphenyl)propan-2-amine
CID 130971593
N,2-dimethyl-3-naphthalen-1-ylpropan-1-amine
CID 62528877
N-[(2,6-dimethylphenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 106915935
3-(2,3-dimethylphenyl)-2-methyl-N-propylpropan-1-amine
CID 64665620
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 62531287
3-[2-methyl-3-(methylamino)propyl]pyridin-2-amine
CID 64664973
3-(2-butyl-4,6-dimethylpyrimidin-5-yl)-N,2-dimethylpropan-1-amine
CID 79412388
N-(2,4-dimethylpentyl)-2-ethyl-6-methylaniline
CID 114200632
2-ethyl-1-(isocyanomethyl)-3-methylbenzene
CID 123406722
2-ethyl-N-(3-methoxy-2-methylpropyl)-6-methylaniline
CID 116501156
(2-ethyl-6-methylphenyl)methylphosphanium bromide
CID 68944646
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine (CID 171831646) is 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine is CCc1c(C)cccc1CC(C)CNC.
What is the InChIKey of 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine?
The InChIKey is CSKBFQOAYULNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14-12(3)7-6-8-13(14)9-11(2)10-15-4/h6-8,11,15H,5,9-10H2,1-4H3.
What are the key properties of 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine?
3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine has a molecular weight of 205.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3-methylphenyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 171831646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).