4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol

C15H23BrN2O — CID 117039436

IUPAC4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-11-15(19)9-7-14(8-10-15)18(2)13-5-3-12(16)4-6-13/h3-6,14,17,19H,7-11H2,1-2H3
InChIKeyKGOPLPRNCGXSCC-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.78
Rot. Bonds4

About 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol

4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol (PubChem CID 117039436) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
PubChem CID117039436
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol
SMILESCNCC1(O)CCC(N(C)c2ccc(Br)cc2)CC1
InChIInChI=1S/C15H23BrN2O/c1-17-11-15(19)9-7-14(8-10-15)18(2)13-5-3-12(16)4-6-13/h3-6,14,17,19H,7-11H2,1-2H3
InChIKeyKGOPLPRNCGXSCC-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
The IUPAC name of 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol (CID 117039436) is 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol is CNCC1(O)CCC(N(C)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
The InChIKey is KGOPLPRNCGXSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-17-11-15(19)9-7-14(8-10-15)18(2)13-5-3-12(16)4-6-13/h3-6,14,17,19H,7-11H2,1-2H3.
What are the key properties of 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol?
4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol has a molecular weight of 327.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-N-methylanilino)-1-(methylaminomethyl)cyclohexan-1-ol is sourced from PubChem (CID 117039436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).