1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine

C15H19ClFN — CID 114013906

IUPAC1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)c(F)c2)CC2CC2C1
InChIInChI=1S/C15H19ClFN/c1-18-9-15(7-11-5-12(11)8-15)6-10-2-3-13(16)14(17)4-10/h2-4,11-12,18H,5-9H2,1H3
InChIKeyCRIMANJYYJRAPH-UHFFFAOYSA-N
MW267.77 g/mol
LogP3.66
Rot. Bonds4

About 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine

1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine (PubChem CID 114013906) has the molecular formula C15H19ClFN and a molecular weight of 267.77 g/mol. Its IUPAC name is 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
PubChem CID114013906
Molecular FormulaC15H19ClFN
Molecular Weight267.77 g/mol
Exact Mass267.12
IUPAC Name1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine
SMILESCNCC1(Cc2ccc(Cl)c(F)c2)CC2CC2C1
InChIInChI=1S/C15H19ClFN/c1-18-9-15(7-11-5-12(11)8-15)6-10-2-3-13(16)14(17)4-10/h2-4,11-12,18H,5-9H2,1H3
InChIKeyCRIMANJYYJRAPH-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine (CID 114013906) is 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine is CNCC1(Cc2ccc(Cl)c(F)c2)CC2CC2C1.
What is the InChIKey of 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
The InChIKey is CRIMANJYYJRAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN/c1-18-9-15(7-11-5-12(11)8-15)6-10-2-3-13(16)14(17)4-10/h2-4,11-12,18H,5-9H2,1H3.
What are the key properties of 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine?
1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine has a molecular weight of 267.77 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chloro-3-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]-N-methylmethanamine is sourced from PubChem (CID 114013906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).