1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine

C19H23N — CID 117418146

IUPAC1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCC(C)c1ccc(CC2(N)CC2)cc1-c1ccccc1
InChIInChI=1S/C19H23N/c1-14(2)17-9-8-15(13-19(20)10-11-19)12-18(17)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,20H2,1-2H3
InChIKeyJSLZWUJUBQGFPB-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.51
Rot. Bonds4

About 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine

1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117418146) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID117418146
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCC(C)c1ccc(CC2(N)CC2)cc1-c1ccccc1
InChIInChI=1S/C19H23N/c1-14(2)17-9-8-15(13-19(20)10-11-19)12-18(17)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,20H2,1-2H3
InChIKeyJSLZWUJUBQGFPB-UHFFFAOYSA-N
XLogP4.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine (CID 117418146) is 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine is CC(C)c1ccc(CC2(N)CC2)cc1-c1ccccc1.
What is the InChIKey of 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is JSLZWUJUBQGFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-14(2)17-9-8-15(13-19(20)10-11-19)12-18(17)16-6-4-3-5-7-16/h3-9,12,14H,10-11,13,20H2,1-2H3.
What are the key properties of 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenyl-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117418146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).