N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride

C18H29ClN2O — CID 118711483

IUPACN,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(N2CCOCC2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-19(2)18(16-6-4-3-5-7-16)10-8-17(9-11-18)20-12-14-21-15-13-20;/h3-7,17H,8-15H2,1-2H3;1H
InChIKeyQHZBJTFVNNCNIJ-UHFFFAOYSA-N
MW324.90 g/mol
LogP3.14
Rot. Bonds3

About N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride

N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride (PubChem CID 118711483) has the molecular formula C18H29ClN2O and a molecular weight of 324.90 g/mol. Its IUPAC name is N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride
PubChem CID118711483
Molecular FormulaC18H29ClN2O
Molecular Weight324.90 g/mol
Exact Mass324.20
IUPAC NameN,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(N2CCOCC2)CC1.Cl
InChIInChI=1S/C18H28N2O.ClH/c1-19(2)18(16-6-4-3-5-7-16)10-8-17(9-11-18)20-12-14-21-15-13-20;/h3-7,17H,8-15H2,1-2H3;1H
InChIKeyQHZBJTFVNNCNIJ-UHFFFAOYSA-N
XLogP3.14
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.90
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride (CID 118711483) is N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride is CN(C)C1(c2ccccc2)CCC(N2CCOCC2)CC1.Cl.
What is the InChIKey of N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride?
The InChIKey is QHZBJTFVNNCNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O.ClH/c1-19(2)18(16-6-4-3-5-7-16)10-8-17(9-11-18)20-12-14-21-15-13-20;/h3-7,17H,8-15H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride?
N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride has a molecular weight of 324.90 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-morpholin-4-yl-1-phenylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 118711483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).