(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride

C14H18Cl3NO — CID 69077027

IUPAC(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCOC[C@]12CCNC[C@@]1(c1ccc(Cl)c(Cl)c1)C2.Cl
InChIInChI=1S/C14H17Cl2NO.ClH/c1-18-9-13-4-5-17-8-14(13,7-13)10-2-3-11(15)12(16)6-10;/h2-3,6,17H,4-5,7-9H2,1H3;1H/t13-,14-;/m1./s1
InChIKeyQXFDSTAEJPHOLO-DTPOWOMPSA-N
MW322.66 g/mol
LogP3.68
Rot. Bonds3

About (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride

(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 69077027) has the molecular formula C14H18Cl3NO and a molecular weight of 322.66 g/mol. Its IUPAC name is (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID69077027
Molecular FormulaC14H18Cl3NO
Molecular Weight322.66 g/mol
Exact Mass321.05
IUPAC Name(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESCOC[C@]12CCNC[C@@]1(c1ccc(Cl)c(Cl)c1)C2.Cl
InChIInChI=1S/C14H17Cl2NO.ClH/c1-18-9-13-4-5-17-8-14(13,7-13)10-2-3-11(15)12(16)6-10;/h2-3,6,17H,4-5,7-9H2,1H3;1H/t13-,14-;/m1./s1
InChIKeyQXFDSTAEJPHOLO-DTPOWOMPSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(1S,6S)-6-(3,4-dichlorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 68917869
(6S)-6-(3-chloro-4-fluorophenyl)-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 143641570
(1R,6S)-6-[4-chloro-3-(trifluoromethyl)phenyl]-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane
CID 24803014
(1R,6S)-6-[4-chloro-3-(trifluoromethyl)phenyl]-1-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;ethane
CID 143641578
(3S)-3-(3,4-dichlorophenyl)-3-(methoxymethyl)piperidine
CID 46245101
2-(3,4-dichlorophenoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120890512
2-[[6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]methyl]-4-methyl-1,3-oxazole
CID 70970351
(1R,4R,5R)-5-(3,4-dichlorophenyl)-4-(methoxymethyl)-4-methyl-2-azabicyclo[3.2.1]octane
CID 173487470
4-(4-chlorophenyl)-4-(methoxymethyl)piperidine
CID 58117649
2-[(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptan-1-yl]-4-methyl-1,3-thiazole
CID 56659199
6-(3,4-dichlorophenyl)-1-[(5-propan-2-yltetrazol-1-yl)methyl]-3-azabicyclo[4.1.0]heptane
CID 70970290
(1R,6S)-1-(methoxymethyl)-6-[4-(trifluoromethoxy)phenyl]-3-azabicyclo[4.1.0]heptane
CID 24803180

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride (CID 69077027) is (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride is COC[C@]12CCNC[C@@]1(c1ccc(Cl)c(Cl)c1)C2.Cl.
What is the InChIKey of (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is QXFDSTAEJPHOLO-DTPOWOMPSA-N. The full InChI is InChI=1S/C14H17Cl2NO.ClH/c1-18-9-13-4-5-17-8-14(13,7-13)10-2-3-11(15)12(16)6-10;/h2-3,6,17H,4-5,7-9H2,1H3;1H/t13-,14-;/m1./s1.
What are the key properties of (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride?
(1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 322.66 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 69077027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).