1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine

C20H31ClN2O — CID 70506292

IUPAC1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine
SMILESC1COCCN1.CN(C1CC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H22ClN.C4H9NO/c1-18(15-9-10-15)16(11-3-2-4-12-16)13-5-7-14(17)8-6-13;1-3-6-4-2-5-1/h5-8,15H,2-4,9-12H2,1H3;5H,1-4H2
InChIKeyUIHYCONHEKQCBL-UHFFFAOYSA-N
MW350.93 g/mol
LogP4.20
Rot. Bonds3

About 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine

1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine (PubChem CID 70506292) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine
PubChem CID70506292
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine
SMILESC1COCCN1.CN(C1CC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C16H22ClN.C4H9NO/c1-18(15-9-10-15)16(11-3-2-4-12-16)13-5-7-14(17)8-6-13;1-3-6-4-2-5-1/h5-8,15H,2-4,9-12H2,1H3;5H,1-4H2
InChIKeyUIHYCONHEKQCBL-UHFFFAOYSA-N
XLogP4.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine (CID 70506292) is 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine is C1COCCN1.CN(C1CC1)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine?
The InChIKey is UIHYCONHEKQCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN.C4H9NO/c1-18(15-9-10-15)16(11-3-2-4-12-16)13-5-7-14(17)8-6-13;1-3-6-4-2-5-1/h5-8,15H,2-4,9-12H2,1H3;5H,1-4H2.
What are the key properties of 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine?
1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine has a molecular weight of 350.93 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclopropyl-N-methylcyclohexan-1-amine;morpholine is sourced from PubChem (CID 70506292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).