1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride

C26H32ClNO — CID 131723357

IUPAC1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCN(C)C(c1ccc2ccccc2c1)C1CCCCC1(O)Cc1ccccc1.Cl
InChIInChI=1S/C26H31NO.ClH/c1-27(2)25(23-16-15-21-12-6-7-13-22(21)18-23)24-14-8-9-17-26(24,28)19-20-10-4-3-5-11-20;/h3-7,10-13,15-16,18,24-25,28H,8-9,14,17,19H2,1-2H3;1H
InChIKeyMBQBKNDXBBVKSF-UHFFFAOYSA-N
MW410.00 g/mol
LogP6.03
Rot. Bonds5

About 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride

1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride (PubChem CID 131723357) has the molecular formula C26H32ClNO and a molecular weight of 410.00 g/mol. Its IUPAC name is 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride
PubChem CID131723357
Molecular FormulaC26H32ClNO
Molecular Weight410.00 g/mol
Exact Mass409.22
IUPAC Name1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride
SMILESCN(C)C(c1ccc2ccccc2c1)C1CCCCC1(O)Cc1ccccc1.Cl
InChIInChI=1S/C26H31NO.ClH/c1-27(2)25(23-16-15-21-12-6-7-13-22(21)18-23)24-14-8-9-17-26(24,28)19-20-10-4-3-5-11-20;/h3-7,10-13,15-16,18,24-25,28H,8-9,14,17,19H2,1-2H3;1H
InChIKeyMBQBKNDXBBVKSF-UHFFFAOYSA-N
XLogP6.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.00
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride (CID 131723357) is 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride is CN(C)C(c1ccc2ccccc2c1)C1CCCCC1(O)Cc1ccccc1.Cl.
What is the InChIKey of 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride?
The InChIKey is MBQBKNDXBBVKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO.ClH/c1-27(2)25(23-16-15-21-12-6-7-13-22(21)18-23)24-14-8-9-17-26(24,28)19-20-10-4-3-5-11-20;/h3-7,10-13,15-16,18,24-25,28H,8-9,14,17,19H2,1-2H3;1H.
What are the key properties of 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride?
1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride has a molecular weight of 410.00 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[dimethylamino(naphthalen-2-yl)methyl]cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 131723357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).