N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride

C21H28ClNO — CID 21093241

IUPACN,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(OCc2ccccc2)CC1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)23-17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H
InChIKeyVEMHTZKVFHEIDQ-UHFFFAOYSA-N
MW345.91 g/mol
LogP5.02
Rot. Bonds5

About N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride

N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride (PubChem CID 21093241) has the molecular formula C21H28ClNO and a molecular weight of 345.91 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride
PubChem CID21093241
Molecular FormulaC21H28ClNO
Molecular Weight345.91 g/mol
Exact Mass345.19
IUPAC NameN,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride
SMILESCN(C)C1(c2ccccc2)CCC(OCc2ccccc2)CC1.Cl
InChIInChI=1S/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)23-17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H
InChIKeyVEMHTZKVFHEIDQ-UHFFFAOYSA-N
XLogP5.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.91
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride?
The IUPAC name of N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride (CID 21093241) is N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride is CN(C)C1(c2ccccc2)CCC(OCc2ccccc2)CC1.Cl.
What is the InChIKey of N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride?
The InChIKey is VEMHTZKVFHEIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.ClH/c1-22(2)21(19-11-7-4-8-12-19)15-13-20(14-16-21)23-17-18-9-5-3-6-10-18;/h3-12,20H,13-17H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride?
N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride has a molecular weight of 345.91 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-4-phenylmethoxycyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 21093241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).