N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride

C18H30ClNO — CID 70695519

IUPACN,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride
SMILESCCN(CC)CCO[C@H]1CCCC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C18H29NO.ClH/c1-3-19(4-2)14-15-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16;/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3;1H/t17-,18+;/m1./s1
InChIKeyDUZMSZFRFVAKKK-URBRKQAFSA-N
MW311.90 g/mol
LogP4.49
Rot. Bonds7

About N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride

N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride (PubChem CID 70695519) has the molecular formula C18H30ClNO and a molecular weight of 311.90 g/mol. Its IUPAC name is N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride
PubChem CID70695519
Molecular FormulaC18H30ClNO
Molecular Weight311.90 g/mol
Exact Mass311.20
IUPAC NameN,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride
SMILESCCN(CC)CCO[C@H]1CCCC[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C18H29NO.ClH/c1-3-19(4-2)14-15-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16;/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3;1H/t17-,18+;/m1./s1
InChIKeyDUZMSZFRFVAKKK-URBRKQAFSA-N
XLogP4.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride?
The IUPAC name of N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride (CID 70695519) is N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride?
The canonical SMILES for N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride is CCN(CC)CCO[C@H]1CCCC[C@@H]1c1ccccc1.Cl.
What is the InChIKey of N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride?
The InChIKey is DUZMSZFRFVAKKK-URBRKQAFSA-N. The full InChI is InChI=1S/C18H29NO.ClH/c1-3-19(4-2)14-15-20-18-13-9-8-12-17(18)16-10-6-5-7-11-16;/h5-7,10-11,17-18H,3-4,8-9,12-15H2,1-2H3;1H/t17-,18+;/m1./s1.
What are the key properties of N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride?
N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride has a molecular weight of 311.90 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(1S,2R)-2-phenylcyclohexyl]oxyethanamine;hydrochloride is sourced from PubChem (CID 70695519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).