3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine

C15H23N — CID 83154335

IUPAC3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
SMILESCc1ccc(C)c(CC(N)C(C)C2CC2)c1
InChIInChI=1S/C15H23N/c1-10-4-5-11(2)14(8-10)9-15(16)12(3)13-6-7-13/h4-5,8,12-13,15H,6-7,9,16H2,1-3H3
InChIKeyBZQJTVLVCJGKSK-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.22
Rot. Bonds4

About 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine

3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine (PubChem CID 83154335) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
PubChem CID83154335
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine
SMILESCc1ccc(C)c(CC(N)C(C)C2CC2)c1
InChIInChI=1S/C15H23N/c1-10-4-5-11(2)14(8-10)9-15(16)12(3)13-6-7-13/h4-5,8,12-13,15H,6-7,9,16H2,1-3H3
InChIKeyBZQJTVLVCJGKSK-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclopropyl-1-(5-fluoro-2-methylphenyl)butan-2-amine
CID 105377154
[3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-yl]hydrazine
CID 105287697
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116723227
2-(2,5-dimethylphenyl)-1-(4-methylcyclohexyl)ethanamine
CID 63415387
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-(2,5-dimethylphenyl)-1-(thiolan-3-yl)ethanamine
CID 105101180
2-cyclopropyl-1-(2,5-dimethylphenyl)propan-1-amine
CID 83154374
2-(2,5-dimethylphenyl)-1-(3-ethylcyclopentyl)ethanamine
CID 65410217
1-cyclobutyl-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62539513
N-[1-cyclopropyl-2-(2,5-dimethylphenyl)ethyl]propan-1-amine
CID 61482130
[1-cyclobutyl-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105224346
1-(2,5-dimethylphenyl)-4-methylpentan-2-amine
CID 61482046

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine?
The IUPAC name of 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine (CID 83154335) is 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine.
What is the SMILES notation for 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine?
The canonical SMILES for 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine is Cc1ccc(C)c(CC(N)C(C)C2CC2)c1.
What is the InChIKey of 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine?
The InChIKey is BZQJTVLVCJGKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-10-4-5-11(2)14(8-10)9-15(16)12(3)13-6-7-13/h4-5,8,12-13,15H,6-7,9,16H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine?
3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,5-dimethylphenyl)butan-2-amine is sourced from PubChem (CID 83154335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).