1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol

C16H25NO — CID 79135824

IUPAC1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)C1(CN)CCCCC1
InChIInChI=1S/C16H25NO/c1-2-16(18,14-9-5-3-6-10-14)15(13-17)11-7-4-8-12-15/h3,5-6,9-10,18H,2,4,7-8,11-13,17H2,1H3
InChIKeySQTHNMYGBVQVIH-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.19
Rot. Bonds4

About 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol

1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol (PubChem CID 79135824) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
PubChem CID79135824
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol
SMILESCCC(O)(c1ccccc1)C1(CN)CCCCC1
InChIInChI=1S/C16H25NO/c1-2-16(18,14-9-5-3-6-10-14)15(13-17)11-7-4-8-12-15/h3,5-6,9-10,18H,2,4,7-8,11-13,17H2,1H3
InChIKeySQTHNMYGBVQVIH-UHFFFAOYSA-N
XLogP3.19
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol (CID 79135824) is 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol is CCC(O)(c1ccccc1)C1(CN)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol?
The InChIKey is SQTHNMYGBVQVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-16(18,14-9-5-3-6-10-14)15(13-17)11-7-4-8-12-15/h3,5-6,9-10,18H,2,4,7-8,11-13,17H2,1H3.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol?
1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-1-phenylpropan-1-ol is sourced from PubChem (CID 79135824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).