1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine

C14H23N — CID 166055872

IUPAC1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
SMILESCc1cc(CN(C)C)cc(C(C)C)c1C
InChIInChI=1S/C14H23N/c1-10(2)14-8-13(9-15(5)6)7-11(3)12(14)4/h7-8,10H,9H2,1-6H3
InChIKeyXXMIVWFVRFXGRS-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.49
Rot. Bonds3

About 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine

1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine (PubChem CID 166055872) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
PubChem CID166055872
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine
SMILESCc1cc(CN(C)C)cc(C(C)C)c1C
InChIInChI=1S/C14H23N/c1-10(2)14-8-13(9-15(5)6)7-11(3)12(14)4/h7-8,10H,9H2,1-6H3
InChIKeyXXMIVWFVRFXGRS-UHFFFAOYSA-N
XLogP3.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine (CID 166055872) is 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine is Cc1cc(CN(C)C)cc(C(C)C)c1C.
What is the InChIKey of 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine?
The InChIKey is XXMIVWFVRFXGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-10(2)14-8-13(9-15(5)6)7-11(3)12(14)4/h7-8,10H,9H2,1-6H3.
What are the key properties of 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine?
1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine has a molecular weight of 205.34 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethyl-5-propan-2-ylphenyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 166055872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).