2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine

C14H23N — CID 117294246

IUPAC2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C(C)C)cc(C)c1C
InChIInChI=1S/C14H23N/c1-10(2)14-8-11(3)12(4)13(9-14)6-7-15-5/h8-10,15H,6-7H2,1-5H3
InChIKeyIYNVRFPCMDUQKE-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.19
Rot. Bonds4

About 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine

2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine (PubChem CID 117294246) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
PubChem CID117294246
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine
SMILESCNCCc1cc(C(C)C)cc(C)c1C
InChIInChI=1S/C14H23N/c1-10(2)14-8-11(3)12(4)13(9-14)6-7-15-5/h8-10,15H,6-7H2,1-5H3
InChIKeyIYNVRFPCMDUQKE-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dimethyl-5-propan-2-ylphenyl)propanoic acid
CID 117314538
1-(2,3-dimethyl-5-propan-2-ylphenyl)propan-2-one
CID 117292880
1-(2,3-dimethyl-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117313439
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
1,3-diethyl-2-methyl-5-propan-2-ylbenzene
CID 153439448
2-(5-bromo-2-propan-2-ylphenyl)-N-methylethanamine
CID 83901309
2-(4,5-dimethyl-2-methylsulfanylphenyl)-N-methylethanamine
CID 117299568
1-[(2,3-dimethyl-5-propan-2-ylphenyl)methyl]piperazine
CID 117368977
N-ethyl-N'-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]ethane-1,2-diamine
CID 115206022
2-(3-bromo-5-chloro-2,4-dimethylphenyl)-N-methylethanamine
CID 84811084
N-methyl-1-[2-methyl-5-(2-methyl-5-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828297
2,5-dimethyl-4-[2-(methylamino)ethyl]phenol
CID 58911397

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine (CID 117294246) is 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine is CNCCc1cc(C(C)C)cc(C)c1C.
What is the InChIKey of 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine?
The InChIKey is IYNVRFPCMDUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)14-8-11(3)12(4)13(9-14)6-7-15-5/h8-10,15H,6-7H2,1-5H3.
What are the key properties of 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine?
2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-5-propan-2-ylphenyl)-N-methylethanamine is sourced from PubChem (CID 117294246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).