2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine

C15H23N — CID 104990610

IUPAC2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(N)C(C)C2CC2)cc1C
InChIInChI=1S/C15H23N/c1-9-7-11(3)14(8-10(9)2)15(16)12(4)13-5-6-13/h7-8,12-13,15H,5-6,16H2,1-4H3
InChIKeyCAEPQRZLLVRYMP-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.66
Rot. Bonds3

About 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine

2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine (PubChem CID 104990610) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
PubChem CID104990610
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(C(N)C(C)C2CC2)cc1C
InChIInChI=1S/C15H23N/c1-9-7-11(3)14(8-10(9)2)15(16)12(4)13-5-6-13/h7-8,12-13,15H,5-6,16H2,1-4H3
InChIKeyCAEPQRZLLVRYMP-UHFFFAOYSA-N
XLogP3.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4,5-dimethylphenyl)-2-cyclopropylpropan-1-amine
CID 83154402
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 104990669
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2,4,5-trimethylphenyl)methanamine
CID 115998020
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 83154112
2-cyclopropyl-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 83154876
1-(3-chloro-4-methylphenyl)-2-cyclopropylpropan-1-amine
CID 107561849
1-(5-chloro-4-methylthiophen-2-yl)-2-cyclopropylpropan-1-amine
CID 102763474

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine (CID 104990610) is 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine is Cc1cc(C)c(C(N)C(C)C2CC2)cc1C.
What is the InChIKey of 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
The InChIKey is CAEPQRZLLVRYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-9-7-11(3)14(8-10(9)2)15(16)12(4)13-5-6-13/h7-8,12-13,15H,5-6,16H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine?
2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,4,5-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 104990610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).