1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine

C15H23N — CID 63354845

IUPAC1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(CCC(N)C2CC2)c(C)c1
InChIInChI=1S/C15H23N/c1-10-8-11(2)14(12(3)9-10)6-7-15(16)13-4-5-13/h8-9,13,15H,4-7,16H2,1-3H3
InChIKeyOTXMCTGKZOOMNB-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.28
Rot. Bonds4

About 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine

1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine (PubChem CID 63354845) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine
PubChem CID63354845
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine
SMILESCc1cc(C)c(CCC(N)C2CC2)c(C)c1
InChIInChI=1S/C15H23N/c1-10-8-11(2)14(12(3)9-10)6-7-15(16)13-4-5-13/h8-9,13,15H,4-7,16H2,1-3H3
InChIKeyOTXMCTGKZOOMNB-UHFFFAOYSA-N
XLogP3.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropyl-3-(2-fluoro-4,6-dimethylphenyl)propan-1-amine
CID 106882484
4-(2,4,6-trimethylphenyl)butan-2-amine
CID 62550210
1-cyclopropyl-4-(2,4,6-trimethylphenyl)butan-1-ol
CID 64515133
N-[2-methyl-4-(2,4,6-trimethylphenyl)butyl]cyclopropanamine
CID 64663737
1-(2,4,6-trimethylphenyl)heptan-4-amine
CID 64502731
(1R)-1-cyclopropyl-2-(2,4-dimethylphenoxy)ethanamine
CID 95252700
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
1-cyclobutyl-3-(2-methylphenyl)propan-1-amine
CID 105187525
1-(2-methylcyclopropyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 65421698
3-(4-tert-butylphenyl)-1-cyclopropylpropan-1-amine
CID 55202631
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
2-cyclopropyl-1-(2,4,6-trimethylphenyl)propan-1-amine
CID 83154874

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
The IUPAC name of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine (CID 63354845) is 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine is Cc1cc(C)c(CCC(N)C2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
The InChIKey is OTXMCTGKZOOMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-8-11(2)14(12(3)9-10)6-7-15(16)13-4-5-13/h8-9,13,15H,4-7,16H2,1-3H3.
What are the key properties of 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine?
1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine has a molecular weight of 217.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,4,6-trimethylphenyl)propan-1-amine is sourced from PubChem (CID 63354845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).