[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol

C14H21NO — CID 63041822

IUPAC[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
SMILESCc1cc(C)c(C2CC2(CN)CO)c(C)c1
InChIInChI=1S/C14H21NO/c1-9-4-10(2)13(11(3)5-9)12-6-14(12,7-15)8-16/h4-5,12,16H,6-8,15H2,1-3H3
InChIKeyABUOIVBDIOROBU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.04
Rot. Bonds3

About [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol

[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol (PubChem CID 63041822) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
PubChem CID63041822
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol
SMILESCc1cc(C)c(C2CC2(CN)CO)c(C)c1
InChIInChI=1S/C14H21NO/c1-9-4-10(2)13(11(3)5-9)12-6-14(12,7-15)8-16/h4-5,12,16H,6-8,15H2,1-3H3
InChIKeyABUOIVBDIOROBU-UHFFFAOYSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol?
The IUPAC name of [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol (CID 63041822) is [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol is Cc1cc(C)c(C2CC2(CN)CO)c(C)c1.
What is the InChIKey of [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol?
The InChIKey is ABUOIVBDIOROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9-4-10(2)13(11(3)5-9)12-6-14(12,7-15)8-16/h4-5,12,16H,6-8,15H2,1-3H3.
What are the key properties of [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol?
[1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-2-(2,4,6-trimethylphenyl)cyclopropyl]methanol is sourced from PubChem (CID 63041822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).