4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine

C19H28N2O — CID 90395380

IUPAC4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine
SMILESc1ccc([C@H]2C[C@@H]2NC2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O/c1-2-4-15(5-3-1)18-14-19(18)20-16-6-8-17(9-7-16)21-10-12-22-13-11-21/h1-5,16-20H,6-14H2/t16?,17?,18-,19+/m1/s1
InChIKeyKELVXSSXVHPRDE-GMNCBBECSA-N
MW300.45 g/mol
LogP2.78
Rot. Bonds4

About 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine

4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine (PubChem CID 90395380) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine
PubChem CID90395380
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine
SMILESc1ccc([C@H]2C[C@@H]2NC2CCC(N3CCOCC3)CC2)cc1
InChIInChI=1S/C19H28N2O/c1-2-4-15(5-3-1)18-14-19(18)20-16-6-8-17(9-7-16)21-10-12-22-13-11-21/h1-5,16-20H,6-14H2/t16?,17?,18-,19+/m1/s1
InChIKeyKELVXSSXVHPRDE-GMNCBBECSA-N
XLogP2.78
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine?
The IUPAC name of 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine (CID 90395380) is 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine.
What is the SMILES notation for 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine?
The canonical SMILES for 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine is c1ccc([C@H]2C[C@@H]2NC2CCC(N3CCOCC3)CC2)cc1.
What is the InChIKey of 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine?
The InChIKey is KELVXSSXVHPRDE-GMNCBBECSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-4-15(5-3-1)18-14-19(18)20-16-6-8-17(9-7-16)21-10-12-22-13-11-21/h1-5,16-20H,6-14H2/t16?,17?,18-,19+/m1/s1.
What are the key properties of 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine?
4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine has a molecular weight of 300.45 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-[(1S,2R)-2-phenylcyclopropyl]cyclohexan-1-amine is sourced from PubChem (CID 90395380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).