2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine

C15H23N — CID 103700185

IUPAC2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
SMILESCc1cc(C)cc(CNC(C)(C)C2CC2)c1
InChIInChI=1S/C15H23N/c1-11-7-12(2)9-13(8-11)10-16-15(3,4)14-5-6-14/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyGFEKYZITWJVHAT-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.58
Rot. Bonds4

About 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine

2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine (PubChem CID 103700185) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
PubChem CID103700185
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine
SMILESCc1cc(C)cc(CNC(C)(C)C2CC2)c1
InChIInChI=1S/C15H23N/c1-11-7-12(2)9-13(8-11)10-16-15(3,4)14-5-6-14/h7-9,14,16H,5-6,10H2,1-4H3
InChIKeyGFEKYZITWJVHAT-UHFFFAOYSA-N
XLogP3.58
TPSA12.03 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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine (CID 103700185) is 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine is Cc1cc(C)cc(CNC(C)(C)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine?
The InChIKey is GFEKYZITWJVHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-7-12(2)9-13(8-11)10-16-15(3,4)14-5-6-14/h7-9,14,16H,5-6,10H2,1-4H3.
What are the key properties of 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine?
2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3,5-dimethylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 103700185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).