2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol

C15H23ClN2O — CID 114321103

IUPAC2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol
SMILESCN(Cc1c(O)cccc1Cl)C1CCCCC1CN
InChIInChI=1S/C15H23ClN2O/c1-18(14-7-3-2-5-11(14)9-17)10-12-13(16)6-4-8-15(12)19/h4,6,8,11,14,19H,2-3,5,7,9-10,17H2,1H3
InChIKeyRZPWEIVATYXDIO-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.99
Rot. Bonds4

About 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol

2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol (PubChem CID 114321103) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol.

Molecular Properties

Compound Name2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol
PubChem CID114321103
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol
SMILESCN(Cc1c(O)cccc1Cl)C1CCCCC1CN
InChIInChI=1S/C15H23ClN2O/c1-18(14-7-3-2-5-11(14)9-17)10-12-13(16)6-4-8-15(12)19/h4,6,8,11,14,19H,2-3,5,7,9-10,17H2,1H3
InChIKeyRZPWEIVATYXDIO-UHFFFAOYSA-N
XLogP2.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol?
The IUPAC name of 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol (CID 114321103) is 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol.
What is the SMILES notation for 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol?
The canonical SMILES for 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol is CN(Cc1c(O)cccc1Cl)C1CCCCC1CN.
What is the InChIKey of 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol?
The InChIKey is RZPWEIVATYXDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-18(14-7-3-2-5-11(14)9-17)10-12-13(16)6-4-8-15(12)19/h4,6,8,11,14,19H,2-3,5,7,9-10,17H2,1H3.
What are the key properties of 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol?
2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol has a molecular weight of 282.81 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(aminomethyl)cyclohexyl]-methylamino]methyl]-3-chlorophenol is sourced from PubChem (CID 114321103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).