cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride

C16H26ClNO — CID 70600717

IUPACcis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
SMILESCN(C)C(c1ccccc1)[C@@H]1CCCCC[C@@H]1O.Cl
InChIInChI=1S/C16H25NO.ClH/c1-17(2)16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)18;/h3,5-6,9-10,14-16,18H,4,7-8,11-12H2,1-2H3;1H/t14-,15+,16?;/m1./s1
InChIKeyXJFWQXIQEMIDGL-MVYKELPVSA-N
MW283.84 g/mol
LogP3.65
Rot. Bonds3

About cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride

cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride (PubChem CID 70600717) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
PubChem CID70600717
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Namecis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride
SMILESCN(C)C(c1ccccc1)[C@@H]1CCCCC[C@@H]1O.Cl
InChIInChI=1S/C16H25NO.ClH/c1-17(2)16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)18;/h3,5-6,9-10,14-16,18H,4,7-8,11-12H2,1-2H3;1H/t14-,15+,16?;/m1./s1
InChIKeyXJFWQXIQEMIDGL-MVYKELPVSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
CID 54374840
cis-(1R,2R)-2-[dimethylamino-(3-methoxyphenyl)methyl]cyclohexan-1-ol;hydrochloride
CID 70600998
3-[dimethylamino-(2-hydroxycyclopentyl)methyl]phenol
CID 171097757
N-[(1R,2S)-2-[dimethylamino(phenyl)methyl]cyclohexyl]acetamide;hydrochloride
CID 175240823
cis-(1R,2R)-2-[dimethylamino-(3-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 54144230
2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 116908350
trans-(1R,2R)-2-[dimethylamino(phenyl)methyl]-N-propylcyclohexan-1-amine
CID 174463045
carbanide;bis((1R)-1-(2-diphenylphosphanylcyclopentyl)-N,N-dimethyl-1-phenylmethanamine);iron(2+)
CID 137319737
4-[cyclohexyl(dimethylamino)methyl]benzoic acid
CID 116908454
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol
CID 99718092

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride?
The IUPAC name of cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride (CID 70600717) is cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride.
What is the SMILES notation for cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride?
The canonical SMILES for cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride is CN(C)C(c1ccccc1)[C@@H]1CCCCC[C@@H]1O.Cl.
What is the InChIKey of cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride?
The InChIKey is XJFWQXIQEMIDGL-MVYKELPVSA-N. The full InChI is InChI=1S/C16H25NO.ClH/c1-17(2)16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)18;/h3,5-6,9-10,14-16,18H,4,7-8,11-12H2,1-2H3;1H/t14-,15+,16?;/m1./s1.
What are the key properties of cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride?
cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride has a molecular weight of 283.84 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-[dimethylamino(phenyl)methyl]cycloheptan-1-ol;hydrochloride is sourced from PubChem (CID 70600717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).