1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine

C14H21N — CID 117292095

IUPAC1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCc1ccc(C(C)C)cc1CC1(N)CC1
InChIInChI=1S/C14H21N/c1-10(2)12-5-4-11(3)13(8-12)9-14(15)6-7-14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyFRLPRXSJHJSZEU-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.15
Rot. Bonds3

About 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine

1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine (PubChem CID 117292095) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
PubChem CID117292095
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine
SMILESCc1ccc(C(C)C)cc1CC1(N)CC1
InChIInChI=1S/C14H21N/c1-10(2)12-5-4-11(3)13(8-12)9-14(15)6-7-14/h4-5,8,10H,6-7,9,15H2,1-3H3
InChIKeyFRLPRXSJHJSZEU-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine (CID 117292095) is 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine is Cc1ccc(C(C)C)cc1CC1(N)CC1.
What is the InChIKey of 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
The InChIKey is FRLPRXSJHJSZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10(2)12-5-4-11(3)13(8-12)9-14(15)6-7-14/h4-5,8,10H,6-7,9,15H2,1-3H3.
What are the key properties of 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine?
1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-5-propan-2-ylphenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117292095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).