2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol

C18H30N2O — CID 61424825

IUPAC2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
SMILESCCCN(CCO)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C18H30N2O/c1-2-10-20(11-12-21)18-13-16(8-9-17(18)14-19)15-6-4-3-5-7-15/h3-7,16-18,21H,2,8-14,19H2,1H3
InChIKeyPRODJWCRQUZNMN-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.60
Rot. Bonds7

About 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol

2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol (PubChem CID 61424825) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
PubChem CID61424825
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol
SMILESCCCN(CCO)C1CC(c2ccccc2)CCC1CN
InChIInChI=1S/C18H30N2O/c1-2-10-20(11-12-21)18-13-16(8-9-17(18)14-19)15-6-4-3-5-7-15/h3-7,16-18,21H,2,8-14,19H2,1H3
InChIKeyPRODJWCRQUZNMN-UHFFFAOYSA-N
XLogP2.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol?
The IUPAC name of 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol (CID 61424825) is 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol?
The canonical SMILES for 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol is CCCN(CCO)C1CC(c2ccccc2)CCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol?
The InChIKey is PRODJWCRQUZNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-10-20(11-12-21)18-13-16(8-9-17(18)14-19)15-6-4-3-5-7-15/h3-7,16-18,21H,2,8-14,19H2,1H3.
What are the key properties of 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol?
2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-5-phenylcyclohexyl]-propylamino]ethanol is sourced from PubChem (CID 61424825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).