4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine

C17H25ClN2O — CID 175191691

IUPAC4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCOCC2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O/c18-14-3-1-13(2-4-14)11-17-12-21-10-9-20(17)16-7-5-15(19)6-8-16/h1-4,15-17H,5-12,19H2
InChIKeyJNVCAYYZLZWSHJ-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.85
Rot. Bonds3

About 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine

4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine (PubChem CID 175191691) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine
PubChem CID175191691
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine
SMILESNC1CCC(N2CCOCC2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2O/c18-14-3-1-13(2-4-14)11-17-12-21-10-9-20(17)16-7-5-15(19)6-8-16/h1-4,15-17H,5-12,19H2
InChIKeyJNVCAYYZLZWSHJ-UHFFFAOYSA-N
XLogP2.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine (CID 175191691) is 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine is NC1CCC(N2CCOCC2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
The InChIKey is JNVCAYYZLZWSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c18-14-3-1-13(2-4-14)11-17-12-21-10-9-20(17)16-7-5-15(19)6-8-16/h1-4,15-17H,5-12,19H2.
What are the key properties of 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine?
4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine has a molecular weight of 308.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methyl]morpholin-4-yl]cyclohexan-1-amine is sourced from PubChem (CID 175191691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).