N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine

C14H23N — CID 43190075

IUPACN-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
SMILESCc1cc(C)c(C(C)NC(C)C)c(C)c1
InChIInChI=1S/C14H23N/c1-9(2)15-13(6)14-11(4)7-10(3)8-12(14)5/h7-9,13,15H,1-6H3
InChIKeyKXROCRCGUBVLBZ-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.67
Rot. Bonds3

About N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine

N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine (PubChem CID 43190075) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
PubChem CID43190075
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine
SMILESCc1cc(C)c(C(C)NC(C)C)c(C)c1
InChIInChI=1S/C14H23N/c1-9(2)15-13(6)14-11(4)7-10(3)8-12(14)5/h7-9,13,15H,1-6H3
InChIKeyKXROCRCGUBVLBZ-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine (CID 43190075) is N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine is Cc1cc(C)c(C(C)NC(C)C)c(C)c1.
What is the InChIKey of N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine?
The InChIKey is KXROCRCGUBVLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-9(2)15-13(6)14-11(4)7-10(3)8-12(14)5/h7-9,13,15H,1-6H3.
What are the key properties of N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine?
N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4,6-trimethylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 43190075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).