(1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C15H19Cl2N — CID 130346874

IUPAC(1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@H]2C[C@@]2(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-10(2)18-8-12-7-15(12,9-18)6-11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3/t12-,15+/m1/s1
InChIKeyRYOHJCISZJQSMG-DOMZBBRYSA-N
MW284.23 g/mol
LogP4.27
Rot. Bonds3

About (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

(1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 130346874) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID130346874
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name(1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@H]2C[C@@]2(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-10(2)18-8-12-7-15(12,9-18)6-11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3/t12-,15+/m1/s1
InChIKeyRYOHJCISZJQSMG-DOMZBBRYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

(5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 135292775
(1R,5R)-1-(3,4-dichlorophenyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 158627259
bromoethane;bis((1R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane);(1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane;(1R)-1-(3,4-dichlorophenyl)-3-propan-2-yl-3-azabicyclo[3.1.0]hexane;tetrahydrochloride
CID 158227102
2-butan-2-yl-1-[(3,4-dichlorophenyl)methyl]-5,5-dimethylpiperazine
CID 64838151
1-[(3,4-dichlorophenyl)methyl]-2-ethyl-5,5-dimethylpiperazine
CID 64840451
4-[(3,4-dichlorophenyl)methyl]-2-propan-2-yloxan-4-ol
CID 65149153
1,2-dichloro-4-(3-chloro-4-methylpentyl)benzene
CID 63460559
3-[(3,4-dichlorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 116538677
1,2-dichloro-4-(3-chlorobutyl)benzene
CID 63461279
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
1,2-dichloro-4-(3-chloro-2-methylpentyl)benzene
CID 63559736
(3aR,7aR)-7a-[(3,4-dichlorophenyl)methyl]-1,2,3,3a,4,5,6,7-octahydroisoindole
CID 53392851

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 130346874) is (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)N1C[C@H]2C[C@@]2(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is RYOHJCISZJQSMG-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-10(2)18-8-12-7-15(12,9-18)6-11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3/t12-,15+/m1/s1.
What are the key properties of (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
(1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 284.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 130346874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).