1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine

C14H21N — CID 117292093

IUPAC1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)c(C)c(C)c1C
InChIInChI=1S/C14H21N/c1-9-7-13(8-14(15)5-6-14)12(4)11(3)10(9)2/h7H,5-6,8,15H2,1-4H3
InChIKeyPXAJMHMUGOHLEK-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.95
Rot. Bonds2

About 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine

1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117292093) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine
PubChem CID117292093
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine
SMILESCc1cc(CC2(N)CC2)c(C)c(C)c1C
InChIInChI=1S/C14H21N/c1-9-7-13(8-14(15)5-6-14)12(4)11(3)10(9)2/h7H,5-6,8,15H2,1-4H3
InChIKeyPXAJMHMUGOHLEK-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine (CID 117292093) is 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine is Cc1cc(CC2(N)CC2)c(C)c(C)c1C.
What is the InChIKey of 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is PXAJMHMUGOHLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-9-7-13(8-14(15)5-6-14)12(4)11(3)10(9)2/h7H,5-6,8,15H2,1-4H3.
What are the key properties of 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine?
1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3,4,5-tetramethylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117292093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).