1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine

C14H18Cl2N2 — CID 45380180

IUPAC1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c1-18(2)7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,6-8H2,1-2H3/t10-,11-,14+/m0/s1
InChIKeyDFPSUOZWGQDKPI-COPLHBTASA-N
MW285.22 g/mol
LogP2.64
Rot. Bonds3

About 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine

1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine (PubChem CID 45380180) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
PubChem CID45380180
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine
SMILESCN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H18Cl2N2/c1-18(2)7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,6-8H2,1-2H3/t10-,11-,14+/m0/s1
InChIKeyDFPSUOZWGQDKPI-COPLHBTASA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

Amitifadine
CID 11658655
3-Azabicyclo(3.1.0)hexane, 1-(3,4-dichlorophenyl)-, hydrochloride
CID 11680542
1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane
CID 9795276
(RS/SR)-2-[1-(3,4-dichlorophenyl)butyl]piperidine
CID 16102764
1-(2-(3,4-Dichlorophenyl)ethyl)piperazine
CID 44314387
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(ethoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025581
(1R,5R,6R)-1-(3,4-dichlorophenyl)-6-(propoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 25025776
(1S,5R)-6-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 25210874
(1R,5S,6S)-1-(3,4-dichlorophenyl)-6-(2-ethoxyethyl)-3-azabicyclo[3.1.0]hexane
CID 45378248
Exo-1-(3,4-dichlorophenyl)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 45379828
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(propoxymethyl)-3-azabicyclo[3.1.0]hexane
CID 45379949
(1S,5S,6S)-1-(3,4-dichlorophenyl)-6-(methylsulfanylmethyl)-3-azabicyclo[3.1.0]hexane
CID 45380181

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine (CID 45380180) is 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine is CN(C)C[C@H]1[C@@H]2CNC[C@@]21c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
The InChIKey is DFPSUOZWGQDKPI-COPLHBTASA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-18(2)7-11-10-6-17-8-14(10,11)9-3-4-12(15)13(16)5-9/h3-5,10-11,17H,6-8H2,1-2H3/t10-,11-,14+/m0/s1.
What are the key properties of 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine?
1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine has a molecular weight of 285.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5S,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 45380180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).